| SpectraBase Spectrum ID |
9KCQDnY57I4 |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-tetradecyl-, 2-ethylhexyl 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/c1-6-10-12-13-14-15-16-17-18-19-20-21-24-29(26(5)22-8-3)28(30)31-25-27(9-4)23-11-7-2/h26-27H,6-25H2,1-5H3 |
| InChIKey |
NSBUHZWZEIIEQU-UHFFFAOYSA-N |
| Molecular Weight |
439.769 g/mol |
| SMILES |
CCCC(C)N(C(OCC(CCCC)CC)=O)CCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82611 |
