SpectraBase Spectrum ID |
HZC6kwF4S4P |
Name |
Valeramide, 5-phenyl-N-butyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
233.177964364 u |
Formula |
C15H23NO |
InChI |
InChI=1S/C15H23NO/c1-2-3-13-16-15(17)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H,16,17) |
InChIKey |
AFPPJACYKSDAAR-UHFFFAOYSA-N |
Molecular Weight |
233.355 g/mol |
SMILES |
C(=O)(NCCCC)CCCCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976199 |