SpectraBase Spectrum ID |
KQkn1HawQ5M |
Name |
Propionamide, 3-phenyl-N-propyl-N-(2-ethylhexyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
303.256214686 u |
Formula |
C20H33NO |
InChI |
InChI=1S/C20H33NO/c1-4-7-11-18(6-3)17-21(16-5-2)20(22)15-14-19-12-9-8-10-13-19/h8-10,12-13,18H,4-7,11,14-17H2,1-3H3 |
InChIKey |
QSMKSRJYKARBAS-UHFFFAOYSA-N |
SMILES |
C(=O)(N(CCC)CC(CCCC)CC)CCC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839669 |