| SpectraBase Spectrum ID |
JrQ6ZwjDfpm |
| Name |
(3aR,5R)-5-chloro-8-fluoro-2,3,3a,4,5,6-hexahydro-1H-benzo[f]pyrrolo[1,2-a]azepin-1-one |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13ClFNO |
| InChI |
InChI=1S/C13H13ClFNO/c14-9-5-8-6-10(15)1-3-12(8)16-11(7-9)2-4-13(16)17/h1,3,6,9,11H,2,4-5,7H2/t9-,11-/m1/s1 |
| InChIKey |
NZFMXKZNQSCVJR-MWLCHTKSSA-N |
| Literature Reference DOI |
10.1021/ol100220c |
| Molecular Weight |
253.704 g/mol |
| SMILES |
c1(cc2c(cc1)N1[C@@](C[C@](Cl)(C2)[H])(CCC1=O)[H])F |
| SPLASH |
splash10-0gb9-0490000000-254ecc75e871033a4456 |
| Source of Spectrum |
A1-12-1696/SM18-4o |
| Wiley ID |
1751989 |
![(3aR,5R)-5-chloro-8-fluoro-2,3,3a,4,5,6-hexahydro-1H-benzo[f]pyrrolo[1,2-a]azepin-1-one](/api/spectrum/JrQ6ZwjDfpm/structure.png?h=300&w=458 "(3aR,5R)-5-chloro-8-fluoro-2,3,3a,4,5,6-hexahydro-1H-benzo[f]pyrrolo[1,2-a]azepin-1-one")
