SpectraBase Spectrum ID |
BNz1b1ue74E |
Name |
Benzamide, N-(2-iodo-4-methylphenyl)-3-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
351.012009074 u |
Formula |
C15H14INO |
InChI |
InChI=1S/C15H14INO/c1-10-4-3-5-12(8-10)15(18)17-14-7-6-11(2)9-13(14)16/h3-9H,1-2H3,(H,17,18) |
InChIKey |
LRRRGSNFNASUFB-UHFFFAOYSA-N |
Molecular Weight |
351.187 g/mol |
SMILES |
C1=CC=C(C=C1C)C(NC=1C=CC(C)=CC1I)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921802 |