3-Morpholinopropylamine (C7H16N2O)

3-Morpholinopropylamine bmse000971 - Data bmse000981 - Data

View large 3D structure

BMRB entry bmse000981

Entry DOI: doi:10.13018/BMSE000981
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000981.str

NMR-STAR

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Structure file (mol/sdf):

bmse000981.mol

All files for

bmse000981

Time Domain Data:

bmse000981.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample:
Conditions:
Spectrometer:

Atom ID	Author Nomenclature	Value	Ambiguity Code
C4	C4	53.823	1
C5	C5	53.823	1
C3	C6	56.883	4
C3	C6	40.731	4
C6	C7	67.005	1
C7	C8	67.005	1
C1	C9	30.249	1
C2	C10	56.883	4
C2	C10	40.731	4
H17	H11	2.402	4
H18	H12	2.402	4
H19	H13	2.402	4
H20	H14	2.402	4
H15	H15	2.760	4
H15	H15	2.402	4
H16	H16	2.760	4
H16	H16	2.402	4
H21	H17	3.718	1
H22	H18	3.718	1
H23	H19	3.718	1
H24	H20	3.718	1
H11	H21	1.642	1
H12	H22	1.642	1
H13	H23	2.760	4
H13	H23	2.402	4
H14	H24	2.760	4
H14	H24	2.402	4

NMR experiments

1: 1D 1H
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 600MHz

Download time domain data: bmse000981_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 600MHz

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

Download time domain data: bmse000981_2.zip

3: 1D DEPT90
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 600MHz

Download time domain data: bmse000981_3.zip

4: 1D DEPT135
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 600MHz

Download time domain data: bmse000981_4.zip

5: 2D [1H,13C]-HSQC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #5: 2D [1H,13C]-HSQC

Download time domain data: bmse000981_5.zip

6: 2D [1H,13C]-HMBC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 600MHz

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

Download time domain data: bmse000981_6.zip

7: 2D [1H,1H]-COSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #7: 2D [1H,1H]-COSY

Download time domain data: bmse000981_7.zip

8: 2D [1H,13C]-HMQC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 600MHz

Spectrum for experiment #8: 2D [1H,13C]-HMQC

Download time domain data: bmse000981_8.zip

9: 2D [1H,13C]-HSQC SW small
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 600MHz

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

Download time domain data: bmse000981_9.zip