Chalcone (C15H12O)

Chalcone bmse000704 - Data

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BMRB entry bmse000704

Entry DOI: doi:10.13018/BMSE000704
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file:

bmse000704.str

NMR-STAR

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Structure file (mol/sdf):

bmse000704.mol

All files for

bmse000704

Time Domain Data:

bmse000704.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in benzene, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom ID	Author Nomenclature	Value	Ambiguity Code
C14	C2	138.851	4
C13	C3	138.851	5
C15	C4	189.227	1
C11	C5	144.394	1
C12	C6	122.365	1
C9	C7	132.530	4
C10	C8	130.297	4
C7	C9	128.963	4
C8	C10	128.790	4
C5	C11	128.702	4
C6	C12	128.660	4
C3	C13	128.325	4
C4	C14	132.530	4
C2	C15	130.297	4
C1	C16	128.963	4
H27	H17	7.945	4
H28	H18	7.036	1
H25	H19	7.945	4
H26	H20	7.316	4
H23	H21	7.211	4
H24	H22	7.161	4
H21	H23	7.107	4
H22	H24	7.036	4
H19	H25	7.945	4
H20	H26	7.316	4
H18	H27	7.211	4
H17	H28	7.161	4

NMR experiments

1: 1D 1H
Sample: Saturated1 in benzene, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000704_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in benzene, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000704_2.zip

3: 1D 13C
Sample: Saturated1 in benzene, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000704_3.zip

4: 1D DEPT90
Sample: Saturated1 in benzene, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000704_4.zip

5: 1D DEPT135
Sample: Saturated1 in benzene, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000704_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in benzene, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000704_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in benzene, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000704_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in benzene, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000704_8.zip