| SpectraBase Spectrum ID |
7A8g8CqoP0G |
| Name |
1-[(1S,3R,4R)-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptan-7-yl]ethanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15ClN2O |
| InChI |
InChI=1S/C13H15ClN2O/c1-8(17)16-10-3-4-12(16)11(6-10)9-2-5-13(14)15-7-9/h2,5,7,10-12H,3-4,6H2,1H3/t10-,11+,12+/m0/s1 |
| InChIKey |
PNXFGWLSNKMJSP-QJPTWQEYSA-N |
| Instrument Name |
Thermo Scientific Trace GC Ultra- iTQ 1100 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.8b00062 |
| Molecular Weight |
250.729 g/mol |
| SMILES |
[C@]12(N([C@](C[C@@]2(c2cnc(Cl)cc2)[H])(CC1)[H])C(C)=O)[H] |
| SPLASH |
splash10-014l-6910000000-27a1407931c8e76203ac |
| Source of Spectrum |
G4-81-SM13-2c |
| Wiley ID |
1867664 |
![1-[(1S,3R,4R)-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptan-7-yl]ethanone](/api/spectrum/7A8g8CqoP0G/structure.png?h=300&w=458 "1-[(1S,3R,4R)-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptan-7-yl]ethanone")
