2-ethylpiperidine (C7H15N)

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BMRB entry bmse000714

Entry DOI: doi:10.13018/BMSE000714
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file:

bmse000714.str

NMR-STAR

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Structure file (mol/sdf):

bmse000714.mol

All files for

bmse000714

Time Domain Data:

bmse000714.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Atom ID	Author Nomenclature	Value	Ambiguity Code
C7	C2	61	1
C5	C3	30.518	1
C3	C4	24.309	4
C3	C4	24.720	4
C4	C5	24.309	4
C4	C5	24.720	4
C6	C6	47.393	1
C2	C7	29.097	1
C1	C8	11.457	1
H22	H9	2.972	1
H18	H10	2.006	2
H18	H10	1.384	2
H19	H11	2.006	2
H19	H11	1.384	2
H14	H12	1.866	4
H14	H12	1.625	4
H14	H12	1.496	4
H15	H13	1.866	4
H15	H13	1.625	4
H15	H13	1.496	4
H16	H14	1.866	4
H16	H14	1.625	4
H16	H14	1.496	4
H17	H15	1.866	4
H17	H15	1.625	4
H17	H15	1.496	4
H20	H16	2.972	4
H20	H16	3.372	4
H21	H17	2.972	4
H21	H17	3.372	4
H12	H19	1.625	4
H13	H20	1.625	4
H9	H21	0.96	1
H10	H22	0.96	1
H11	H23	0.96	1

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000714_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000714_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000714_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000714_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000714_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000714_6.zip

7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000714_7.zip

8: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

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

Download time domain data: bmse000714_8.zip