SpectraBase Spectrum ID |
HPssqRT19nA |
Name |
Isobutyramide, N-(2-pentyl)-N-tetradecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.365765136 u |
Formula |
C23H47NO |
InChI |
InChI=1S/C23H47NO/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-24(22(5)19-7-2)23(25)21(3)4/h21-22H,6-20H2,1-5H3 |
InChIKey |
SZMFBGTZZBSLME-UHFFFAOYSA-N |
Molecular Weight |
353.635 g/mol |
SMILES |
C(N(C(CCC)C)C(=O)C(C)C)CCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880459 |