SpectraBase Spectrum ID |
BaeAsFHf9AN |
Name |
Benzamide, N-(4-bromophenyl)-2-methoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
305.005141628 u |
Formula |
C14H12BrNO2 |
InChI |
InChI=1S/C14H12BrNO2/c1-18-13-5-3-2-4-12(13)14(17)16-11-8-6-10(15)7-9-11/h2-9H,1H3,(H,16,17) |
InChIKey |
JSCDVENNYSRBMK-UHFFFAOYSA-N |
Molecular Weight |
306.159 g/mol |
SMILES |
C1=CC=C(C(=C1)C(NC1=CC=C(C=C1)Br)=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891603 |