| SpectraBase Spectrum ID |
BH9itOawsyH |
| Name |
(3S)-2-Methoxy-4-methyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.136827826 u |
| Formula |
C18H18N2O2 |
| InChI |
InChI=1S/C18H18N2O2/c1-20-16(12-13-8-4-3-5-9-13)17(22-2)19-15-11-7-6-10-14(15)18(20)21/h3-11,16H,12H2,1-2H3/t16-/m0/s1 |
| InChIKey |
HNDOFJFCBJSUMW-INIZCTEOSA-N |
| Molecular Weight |
294.354 g/mol |
| SMILES |
C1(N([C@](C(OC)=NC=2C1=CC=CC2)(CC1=CC=CC=C1)[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852947 |
