| SpectraBase Spectrum ID |
HsCJKRWF2nI |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-undecyl-, 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.391979884 u |
| Formula |
C25H51NO2 |
| InChI |
InChI=1S/C25H51NO2/c1-6-10-12-13-14-15-16-17-18-21-26(23(5)19-8-3)25(27)28-22-24(9-4)20-11-7-2/h23-24H,6-22H2,1-5H3 |
| InChIKey |
LFMIGMWORXQVKG-UHFFFAOYSA-N |
| Molecular Weight |
397.688 g/mol |
| SMILES |
CCCC(C)N(C(OCC(CCCC)CC)=O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902243 |
