| SpectraBase Spectrum ID |
I9yTwghXIF1 |
| Name |
(11aS)-7-Fluoro-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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(c2c(N=C[C@]3(N1CCC3)[H])ccc(c2)F)=O |
| SPLASH |
splash10-014i-0090000000-423920003f5756dc9bc7 |
| Source of Spectrum |
AT-39-7790-0 |
| Synonyms |
(11aS)-7-fluoro-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one |
| Wiley ID |
854311 |
![(11aS)-7-Fluoro-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one](/api/spectrum/I9yTwghXIF1/structure.png?h=300&w=458 "(11aS)-7-Fluoro-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one")
