| SpectraBase Spectrum ID |
BGp5i3mYEtx |
| Name |
Carbonic acid, monoamide, N-propyl-N-heptyl-, 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 |
253.204179111 u |
| Formula |
C15H27NO2 |
| InChI |
InChI=1S/C15H27NO2/c1-4-7-9-10-11-13-16(12-6-3)15(17)18-14-8-5-2/h4,6-7,9-14H2,1-3H3 |
| InChIKey |
UPFLRGNRJQXLEE-UHFFFAOYSA-N |
| Molecular Weight |
253.386 g/mol |
| SMILES |
C(=O)(OCC#CC)N(CCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946818 |
