| SpectraBase Spectrum ID |
6XaNq8UMyIp |
| Name |
Carbonic acid, monoamide, N-propyl-N-octadecyl-, 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 |
407.376329820 u |
| Formula |
C26H49NO2 |
| InChI |
InChI=1S/C26H49NO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(23-6-3)26(28)29-25-8-5-2/h4,6-7,9-25H2,1-3H3 |
| InChIKey |
XREWWIZSRHSCHM-UHFFFAOYSA-N |
| Molecular Weight |
407.683 g/mol |
| SMILES |
C(=O)(OCC#CC)N(CCC)CCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837713 |
