| SpectraBase Spectrum ID |
DAeFbxxsbD |
| Name |
3,4-Dihydro-2-ethoxy-3(S)-methyl-1,4-benzodiazepin-5(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.105527697 u |
| Formula |
C12H14N2O2 |
| InChI |
InChI=1S/C12H14N2O2/c1-3-16-12-8(2)13-11(15)9-6-4-5-7-10(9)14-12/h4-8H,3H2,1-2H3,(H,13,15)/t8-/m0/s1 |
| InChIKey |
RQDYZJDIGJCXEY-QMMMGPOBSA-N |
| Molecular Weight |
218.256 g/mol |
| SMILES |
C1(=NC=2C(C(N[C@]1(C)[H])=O)=CC=CC2)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899494 |
