| SpectraBase Spectrum ID |
5UbfzNTBnGc |
| Name |
Carbonic acid, monoamide, N-propyl-N-hexyl-, 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 |
239.188529047 u |
| Formula |
C14H25NO2 |
| InChI |
InChI=1S/C14H25NO2/c1-4-7-9-10-12-15(11-6-3)14(16)17-13-8-5-2/h4,6-7,9-13H2,1-3H3 |
| InChIKey |
SDWVKIWHHPKUBP-UHFFFAOYSA-N |
| Molecular Weight |
239.359 g/mol |
| SMILES |
C(=O)(OCC#CC)N(CCC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943231 |
