SpectraBase Spectrum ID |
8C7b5LmIJZy |
Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-hexadecyl-, hexyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
439.438930077 u |
Formula |
C28H57NO2 |
InChI |
InChI=1S/C28H57NO2/c1-5-8-10-12-13-14-15-16-17-18-19-20-21-22-25-29(27(4)24-7-3)28(30)31-26-23-11-9-6-2/h27H,5-26H2,1-4H3 |
InChIKey |
NYBMVZZUEXKVAO-UHFFFAOYSA-N |
Molecular Weight |
439.769 g/mol |
SMILES |
CCCC(C)N(C(OCCCCCC)=O)CCCCCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914632 |