SpectraBase Spectrum ID |
CkZX8TfMr5g |
Name |
Propanamide, 3-phenyl-N-hexyl- |
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/c1-2-3-4-8-13-16-15(17)12-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,16,17) |
InChIKey |
QYYCHRTXCLGUEZ-UHFFFAOYSA-N |
Molecular Weight |
233.355 g/mol |
SMILES |
C(NCCCCCC)(=O)CCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967924 |