| SpectraBase Spectrum ID |
3IOcfTwzUEY |
| Name |
(5R, 11aS)-and (5S, 11aS)-5-Phenyl-1,2,3,5,10,11a-hexahydro-11H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18N2O |
| InChI |
InChI=1S/C18H18N2O/c21-18-16-11-6-12-20(16)17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)19-18/h1-5,7-10,16-17H,6,11-12H2,(H,19,21)/t16-,17-/m0/s1 |
| InChIKey |
KBNBGLFKEUKPCQ-IRXDYDNUSA-N |
| Molecular Weight |
278.355 g/mol |
| SMILES |
N1c2c([C@@](N3[C@](C1=O)(CCC3)[H])(c1ccccc1)[H])cccc2 |
| SPLASH |
splash10-004i-0910000000-7717cfb80877564a5965 |
| Source of Spectrum |
F-66-2721-1a |
| Wiley ID |
1682410 |
![(5R, 11aS)-and (5S, 11aS)-5-Phenyl-1,2,3,5,10,11a-hexahydro-11H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one](/api/spectrum/3IOcfTwzUEY/structure.png?h=300&w=458 "(5R, 11aS)-and (5S, 11aS)-5-Phenyl-1,2,3,5,10,11a-hexahydro-11H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one")
