| SpectraBase Spectrum ID |
IyuIAFsBF20 |
| Name |
8-Ethyl-6A,7,8,9-tetrahydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-6,11-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.121177761 u |
| Formula |
C14H16N2O2 |
| InChI |
InChI=1S/C14H16N2O2/c1-2-9-7-12-13(17)15-11-6-4-3-5-10(11)14(18)16(12)8-9/h3-6,9,12H,2,7-8H2,1H3,(H,15,17) |
| InChIKey |
FVAXEAHWMJAPQU-UHFFFAOYSA-N |
| Molecular Weight |
244.294 g/mol |
| SMILES |
C1(N2C(C(NC=3C1=CC=CC3)=O)CC(C2)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953566 |
![8-ethyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione](/api/spectrum/IyuIAFsBF20/structure.png?h=300&w=458 "8-ethyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione")
