SpectraBase Spectrum ID |
7O8whILvnGS |
Name |
Butyramide, 4-phenyl-N-propyl-N-heptyl- |
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/c1-3-5-6-7-11-18-21(17-4-2)20(22)16-12-15-19-13-9-8-10-14-19/h8-10,13-14H,3-7,11-12,15-18H2,1-2H3 |
InChIKey |
ZGZOTXWFSUAJKL-UHFFFAOYSA-N |
SMILES |
C(C(N(CCCCCCC)CCC)=O)CCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972449 |