| SpectraBase Spectrum ID |
F9pWTMMXwFu |
| Name |
(9as)-2-Methyl-2,3,4,5,7,8,9,9A-octahydro-1H-pyrrolo[2,1-D][1,2,5]triazepine-1,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
183.100776669 u |
| Formula |
C8H13N3O2 |
| InChI |
InChI=1S/C8H13N3O2/c1-10-8(13)6-3-2-4-11(6)7(12)5-9-10/h6,9H,2-5H2,1H3/t6-/m0/s1 |
| InChIKey |
QUCVQPJMKXTLRJ-LURJTMIESA-N |
| Molecular Weight |
183.211 g/mol |
| SMILES |
C1([C@]2(N(C(=O)CNN1C)CCC2)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950925 |
![(9aS)-2-Methyl-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[2,1-d][1,2,5]triazepine-1,5-dione](/api/spectrum/F9pWTMMXwFu/structure.png?h=300&w=458 "(9aS)-2-Methyl-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[2,1-d][1,2,5]triazepine-1,5-dione")
