Flavone (C15H10O2)

Flavone bmse000945 - Data

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BMRB entry bmse000945

Entry DOI: doi:10.13018/BMSE000945
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000945.str

NMR-STAR

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Structure file (mol/sdf):

bmse000945.mol

All files for

bmse000945

Time Domain Data:

bmse000945.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom ID	Author Nomenclature	Value	Ambiguity Code
C12	C3	131.732	1
C15	C4	163.406	1
C14	C5	156.239	1
C11	C6	123.924	1
C13	C7	178.503	1
C10	C8	107.561	1
C8	C9	133.806	4
C8	C9	131.629	4
C8	C9	129.050	4
C8	C9	125.685	4
C8	C9	125.244	4
C8	C9	118.100	4
C9	C10	133.806	4
C9	C10	131.629	4
C9	C10	129.050	4
C9	C10	125.685	4
C9	C10	125.244	4
C9	C10	118.100	4
C6	C11	126.288	1
C7	C12	126.288	1
C4	C13	133.806	4
C4	C13	131.629	4
C4	C13	129.050	4
C4	C13	125.685	4
C4	C13	125.244	4
C4	C13	118.100	4
C5	C14	133.806	4
C5	C14	131.629	4
C5	C14	129.050	4
C5	C14	125.685	4
C5	C14	125.244	4
C5	C14	118.100	4
C2	C15	133.806	4
C2	C15	131.629	4
C2	C15	129.050	4
C2	C15	125.685	4
C2	C15	125.244	4
C2	C15	118.100	4
C3	C16	133.806	4
C3	C16	131.629	4
C3	C16	129.050	4
C3	C16	125.685	4
C3	C16	125.244	4
C3	C16	118.100	4
C1	C17	133.806	4
C1	C17	131.629	4
C1	C17	129.050	4
C1	C17	125.685	4
C1	C17	125.244	4
C1	C17	118.100	4
H27	H18	6.835	1
H25	H19	8.237	4
H25	H19	7.705	4
H25	H19	7.550	4
H25	H19	7.425	4
H26	H20	8.237	4
H26	H20	7.705	4
H26	H20	7.550	4
H26	H20	7.425	4
H23	H21	7.931	1
H24	H22	7.931	1
H21	H23	8.237	4
H21	H23	7.705	4
H21	H23	7.550	4
H21	H23	7.425	4
H22	H24	8.237	4
H22	H24	7.705	4
H22	H24	7.550	4
H22	H24	7.425	4
H19	H25	8.237	4
H19	H25	7.705	4
H19	H25	7.550	4
H19	H25	7.425	4
H20	H26	8.237	4
H20	H26	7.705	4
H20	H26	7.550	4
H20	H26	7.425	4
H18	H27	8.237	4
H18	H27	7.705	4
H18	H27	7.550	4
H18	H27	7.425	4

NMR experiments

1: 1D 1H
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000945_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY

Download time domain data: bmse000945_2.zip

3: 1D 13C
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000945_3.zip

4: 1D DEPT90
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000945_4.zip

5: 1D DEPT135
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000945_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #6: 2D [1H,13C]-HSQC

Download time domain data: bmse000945_6.zip

7: 2D [1H,13C]-HMBC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #7: 2D [1H,13C]-HMBC

Download time domain data: bmse000945_7.zip

8: 2D [1H,1H]-COSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #8: 2D [1H,1H]-COSY

Download time domain data: bmse000945_8.zip

9: 2D [1H,13C]-HMQC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #9: 2D [1H,13C]-HMQC

Download time domain data: bmse000945_9.zip

10: 2D [1H,13C]-HSQC SW small
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #10: 2D [1H,13C]-HSQC SW small

Download time domain data: bmse000945_10.zip