SpectraBase Spectrum ID |
Ju2IBIp0yWA |
Name |
Bromazepam-m (oh) ac |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
333.995305219 u |
Formula |
C14H11BrN2O3 |
InChI |
InChI=1S/C14H11BrN2O3/c1-8(18)17-13-10(6-9(15)7-12(13)19)14(20)11-4-2-3-5-16-11/h2-7,19H,1H3,(H,17,18) |
InChIKey |
PLSFYTHBEAUPGG-UHFFFAOYSA-N |
Molecular Weight |
335.157 g/mol |
SMILES |
C=1(C(C(C2=NC=CC=C2)=O)=CC(=CC1O)Br)NC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942941 |