SpectraBase Spectrum ID |
5yXyXWLUyqb |
Name |
N-(1-(4-Methoxy-3-methylphenyl)butan-2-yl)acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
235.157228918 u |
Formula |
C14H21NO2 |
InChI |
InChI=1S/C14H21NO2/c1-5-13(15-11(3)16)9-12-6-7-14(17-4)10(2)8-12/h6-8,13H,5,9H2,1-4H3,(H,15,16) |
InChIKey |
HGWKCSTYVPGALO-UHFFFAOYSA-N |
Molecular Weight |
235.327 g/mol |
SMILES |
C1=C(C(=CC(=C1)CC(NC(C)=O)CC)C)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978434 |