| SpectraBase Spectrum ID |
Ek9jpqA3Toe |
| Name |
4-(2,4-Dimethoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.164185388 u |
| Formula |
C25H23FN2O4 |
| InChI |
InChI=1S/C25H23FN2O4/c1-15-4-11-21-20(12-15)24(16-5-7-17(26)8-6-16)28(14-23(29)27-21)25(30)19-10-9-18(31-2)13-22(19)32-3/h4-13,24H,14H2,1-3H3,(H,27,29) |
| InChIKey |
DMYZCMSFTMACGD-UHFFFAOYSA-N |
| Molecular Weight |
434.467 g/mol |
| SMILES |
COC1=CC=C(C(N2C(C3=C(C=CC(=C3)C)NC(C2)=O)C=2C=CC(=CC2)F)=O)C(=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886841 |
