SpectraBase Spectrum ID |
2OpKtY4Yvk0 |
Name |
2-Methyl-N-(4-methylbenzyl)benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.131014170 u |
Formula |
C16H17NO |
InChI |
InChI=1S/C16H17NO/c1-12-7-9-14(10-8-12)11-17-16(18)15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3,(H,17,18) |
InChIKey |
UIQJURGJJYRAHM-UHFFFAOYSA-N |
Molecular Weight |
239.318 g/mol |
SMILES |
C=1(C(NCC2=CC=C(C=C2)C)=O)C(=CC=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884106 |