SpectraBase Spectrum ID |
9wggOz85g7B |
Name |
Benzamide, N-(4-methoxyphenyl)-2-bromo- |
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/c1-18-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15/h2-9H,1H3,(H,16,17) |
InChIKey |
LMUQWNSHNXAYFP-UHFFFAOYSA-N |
Molecular Weight |
306.159 g/mol |
SMILES |
C1(=C(C=CC=C1)C(NC=1C=CC(OC)=CC1)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858501 |