| SpectraBase Spectrum ID |
CYEkPdq60k |
| Name |
3,4-Dihydro-2-ethoxy-5-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/c1-3-16-11-8-14(2)12(15)9-6-4-5-7-10(9)13-11/h4-7H,3,8H2,1-2H3 |
| InChIKey |
VGQCLZWRWRTDNI-UHFFFAOYSA-N |
| Molecular Weight |
218.256 g/mol |
| SMILES |
C1(C=2C(N=C(CN1C)OCC)=CC=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890665 |
