2-ethylpiperidine (C7H15N)
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.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000714.molAll files for
bmse000714Time Domain Data:
bmse000714.zipSample 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
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
