SpectraBase Spectrum ID |
CQf6ETULZcu |
Name |
Acetamide, N-acetyl-N-[(4-methylphenyl)methyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
205.110278725 u |
Formula |
C12H15NO2 |
InChI |
InChI=1S/C12H15NO2/c1-9-4-6-12(7-5-9)8-13(10(2)14)11(3)15/h4-7H,8H2,1-3H3 |
InChIKey |
HSRYSYUHFRHPJP-UHFFFAOYSA-N |
Molecular Weight |
205.257 g/mol |
SMILES |
C(N(C(C)=O)C(C)=O)C1=CC=C(C=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95106 |