| SpectraBase Spectrum ID |
3nFBcG7Rmtg |
| Name |
2-(3-Acetyl-7,8-dimethoxy-1-methyl-4-oxo-4,5-dihydro-3H-2,3-benzodiazepin-5-yl)-N-phenylacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.163770848 u |
| Formula |
C22H23N3O5 |
| InChI |
InChI=1S/C22H23N3O5/c1-13-16-10-19(29-3)20(30-4)11-17(16)18(22(28)25(24-13)14(2)26)12-21(27)23-15-8-6-5-7-9-15/h5-11,18H,12H2,1-4H3,(H,23,27) |
| InChIKey |
MURMEHMASKNLGE-UHFFFAOYSA-N |
| Molecular Weight |
409.442 g/mol |
| SMILES |
CC(=O)N1N=C(C=2C(C(C1=O)CC(NC=1C=CC=CC1)=O)=CC(=C(C2)OC)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953541 |
