| SpectraBase Spectrum ID |
CwbBoTYAQNF |
| Name |
Carbonic acid, monoamide, N-propyl-N-dodecyl-, but-2-yn-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.282429433 u |
| Formula |
C20H37NO2 |
| InChI |
InChI=1S/C20H37NO2/c1-4-7-9-10-11-12-13-14-15-16-18-21(17-6-3)20(22)23-19-8-5-2/h4,6-7,9-19H2,1-3H3 |
| InChIKey |
YNGMKZLHYROWKS-UHFFFAOYSA-N |
| Molecular Weight |
323.521 g/mol |
| SMILES |
C(=O)(OCC#CC)N(CCC)CCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852147 |
