| SpectraBase Spectrum ID |
EWZDaJgHF3E |
| Name |
(3aR,5R)-5-chloro-2,3,3a,4,5,6-hexahydro-1H-benzo[f]pyrrolo[1,2-a]azepin-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14ClNO |
| InChI |
InChI=1S/C13H14ClNO/c14-10-7-9-3-1-2-4-12(9)15-11(8-10)5-6-13(15)16/h1-4,10-11H,5-8H2/t10-,11-/m1/s1 |
| InChIKey |
PTSXTOMZOQEBCX-GHMZBOCLSA-N |
| Literature Reference DOI |
10.1021/ol100220c |
| Molecular Weight |
235.714 g/mol |
| SMILES |
c1cc2c(cc1)N1[C@@](C[C@@](C2)(Cl)[H])(CCC1=O)[H] |
| SPLASH |
splash10-0udr-0490000000-d54e570b1fba00e91d45 |
| Source of Spectrum |
A1-12-1696/SM13-4a |
| Wiley ID |
1751984 |
![(3aR,5R)-5-chloro-2,3,3a,4,5,6-hexahydro-1H-benzo[f]pyrrolo[1,2-a]azepin-1-one](/api/spectrum/EWZDaJgHF3E/structure.png?h=300&w=458 "(3aR,5R)-5-chloro-2,3,3a,4,5,6-hexahydro-1H-benzo[f]pyrrolo[1,2-a]azepin-1-one")
