| SpectraBase Spectrum ID |
1VGbpKGc0jm |
| Name |
1H-1,4-Benzodiazepine, 2,3-dihydro-, 1-methyl-2,3-di(morpholyl)-7-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.221954430 u |
| Formula |
C24H29N5O4 |
| InChI |
InChI=1S/C24H29N5O4/c1-26-21-8-7-19(29(30)31)17-20(21)22(18-5-3-2-4-6-18)25-23(27-9-13-32-14-10-27)24(26)28-11-15-33-16-12-28/h2-8,17,23-24H,9-16H2,1H3 |
| InChIKey |
PXFPTABCSYKIBH-UHFFFAOYSA-N |
| Molecular Weight |
451.527 g/mol |
| SMILES |
C1(N2CCOCC2)N=C(C2=CC=CC=C2)C2=CC(=CC=C2N(C1N1CCOCC1)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93339 |
