| SpectraBase Spectrum ID |
7w04v0fGgwJ |
| Name |
Carbonic acid, monoamide, N-propyl-N-octyl-, 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 |
267.219829176 u |
| Formula |
C16H29NO2 |
| InChI |
InChI=1S/C16H29NO2/c1-4-7-9-10-11-12-14-17(13-6-3)16(18)19-15-8-5-2/h4,6-7,9-15H2,1-3H3 |
| InChIKey |
RNCPMPUUPJNJBC-UHFFFAOYSA-N |
| Molecular Weight |
267.413 g/mol |
| SMILES |
C(=O)(OCC#CC)N(CCC)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934329 |
