SpectraBase Spectrum ID |
GCalDNEWLKy |
Name |
Benzamide, N-ethyl-N-(3-methylphenyl)-3-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.146664235 u |
Formula |
C17H19NO |
InChI |
InChI=1S/C17H19NO/c1-4-18(16-10-6-8-14(3)12-16)17(19)15-9-5-7-13(2)11-15/h5-12H,4H2,1-3H3 |
InChIKey |
PVKJASZGPBQRHL-UHFFFAOYSA-N |
Molecular Weight |
253.345 g/mol |
SMILES |
C1=C(C=C(C=C1)C(N(C1=CC=CC(C)=C1)CC)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851594 |