| SpectraBase Spectrum ID |
Fp2Wi1auOes |
| Name |
6-(Methylamino)-6A,7,8,9-tetrahydropyrrolo[2,1-C][1,4]benzodiazepin-11-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.121512114 u |
| Formula |
C13H15N3O |
| InChI |
InChI=1S/C13H15N3O/c1-14-12-11-7-4-8-16(11)13(17)9-5-2-3-6-10(9)15-12/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,15) |
| InChIKey |
CYVGMQAVQJIOIW-UHFFFAOYSA-N |
| Molecular Weight |
229.283 g/mol |
| SMILES |
C1(N2C(C(NC)=NC=3C1=CC=CC3)CCC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884716 |
![6-(Methylamino)-6A,7,8,9-tetrahydropyrrolo[2,1-C][1,4]benzodiazepin-11-one](/api/spectrum/Fp2Wi1auOes/structure.png?h=300&w=458 "6-(Methylamino)-6A,7,8,9-tetrahydropyrrolo[2,1-C][1,4]benzodiazepin-11-one")
