| SpectraBase Spectrum ID |
Bp90Ze57akq |
| Name |
Carbonic acid, monoamide, N-(2-butyl)-N-hexadecyl-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.454580142 u |
| Formula |
C29H59NO2 |
| InChI |
InChI=1S/C29H59NO2/c1-5-8-10-12-14-15-16-17-18-19-20-21-22-24-26-30(28(4)7-3)29(31)32-27-25-23-13-11-9-6-2/h28H,5-27H2,1-4H3 |
| InChIKey |
WJWIJFAOTISLSX-UHFFFAOYSA-N |
| Molecular Weight |
453.796 g/mol |
| SMILES |
C(N(CCCCCCCCCCCCCCCC)C(CC)C)(=O)OCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909783 |
