SpectraBase Spectrum ID |
IAYNiRA6e1 |
Name |
N-(2-Acetyloxyethyl)-2-(4-isobutylphenyl)propanamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
291.183443666 u |
Formula |
C17H25NO3 |
InChI |
InChI=1S/C17H25NO3/c1-12(2)11-15-5-7-16(8-6-15)13(3)17(20)18-9-10-21-14(4)19/h5-8,12-13H,9-11H2,1-4H3,(H,18,20) |
InChIKey |
XERPOOQNTPJCQC-UHFFFAOYSA-N |
SMILES |
C(NC(=O)C(C)C1=CC=C(C=C1)CC(C)C)COC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902881 |