SpectraBase Spectrum ID |
5VRl58aKUoe |
Name |
Benzamide, 2-methyl-N-benzyl-N-propyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
267.162314299 u |
Formula |
C18H21NO |
InChI |
InChI=1S/C18H21NO/c1-3-13-19(14-16-10-5-4-6-11-16)18(20)17-12-8-7-9-15(17)2/h4-12H,3,13-14H2,1-2H3 |
InChIKey |
BQQBFRJTJQETAZ-UHFFFAOYSA-N |
Molecular Weight |
267.372 g/mol |
SMILES |
C(N(CCC)CC1=CC=CC=C1)(=O)C=1C(C)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873732 |