| SpectraBase Spectrum ID |
GM90ST7IqFF |
| Name |
(11As)-7-fluoro-1,2,3,11A-tetrahydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.085541144 u |
| Formula |
C12H11FN2O |
| InChI |
InChI=1S/C12H11FN2O/c13-8-3-4-11-10(6-8)12(16)15-5-1-2-9(15)7-14-11/h3-4,6-7,9H,1-2,5H2/t9-/m0/s1 |
| InChIKey |
MBIGZHWOABCQKH-VIFPVBQESA-N |
| Molecular Weight |
218.231 g/mol |
| SMILES |
C1(C=2C(N=C[C@]3(N1CCC3)[H])=CC=C(C2)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857846 |
![(11aS)-7-Fluoro-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one](/api/spectrum/GM90ST7IqFF/structure.png?h=300&w=458 "(11aS)-7-Fluoro-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one")
