SpectraBase Spectrum ID |
aP29KQ6j50 |
Name |
Cyclopentanecarboxamide, N-propyl-N-octadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
407.412715330 u |
Formula |
C27H53NO |
InChI |
InChI=1S/C27H53NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28(24-4-2)27(29)26-22-19-20-23-26/h26H,3-25H2,1-2H3 |
InChIKey |
BVSOMKYCLMYYRI-UHFFFAOYSA-N |
Molecular Weight |
407.727 g/mol |
SMILES |
C(=O)(N(CCC)CCCCCCCCCCCCCCCCCC)C1CCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867316 |