| SpectraBase Spectrum ID |
51uSI2Qd2ZH |
| Name |
(9as)-2-Phenyl-3,4,7,8,9,9A-hexahydropyrrolo[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 |
245.116426733 u |
| Formula |
C13H15N3O2 |
| InChI |
InChI=1S/C13H15N3O2/c17-12-9-14-16(10-5-2-1-3-6-10)13(18)11-7-4-8-15(11)12/h1-3,5-6,11,14H,4,7-9H2/t11-/m0/s1 |
| InChIKey |
BBXYXRZTWKPACW-NSHDSACASA-N |
| Molecular Weight |
245.282 g/mol |
| SMILES |
C1(N(NCC(N2[C@]1(CCC2)[H])=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940669 |
![(9aS)-2-phenyl-3,4,7,8,9,9a-hexahydropyrrolo[2,1-d][1,2,5]triazepine-1,5-dione](/api/spectrum/51uSI2Qd2ZH/structure.png?h=300&w=458 "(9aS)-2-phenyl-3,4,7,8,9,9a-hexahydropyrrolo[2,1-d][1,2,5]triazepine-1,5-dione")
