SpectraBase Spectrum ID |
IxtW2kEf5R1 |
Name |
Pentanamide, N-ethyl-N-(3-methylphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.162314299 u |
Formula |
C14H21NO |
InChI |
InChI=1S/C14H21NO/c1-4-6-10-14(16)15(5-2)13-9-7-8-12(3)11-13/h7-9,11H,4-6,10H2,1-3H3 |
InChIKey |
YKUGOIXXMWLCFL-UHFFFAOYSA-N |
Molecular Weight |
219.328 g/mol |
SMILES |
CCCCC(N(C1=CC=CC(C)=C1)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85555 |