| SpectraBase Spectrum ID |
IKqzVdguA2k |
| Name |
Carbonic acid, monoamide, N-octyl-, but-2-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.172878983 u |
| Formula |
C13H23NO2 |
| InChI |
InChI=1S/C13H23NO2/c1-3-5-7-8-9-10-11-14-13(15)16-12-6-4-2/h3,5,7-12H2,1-2H3,(H,14,15) |
| InChIKey |
GDTJOEXLQGMDPO-UHFFFAOYSA-N |
| Molecular Weight |
225.332 g/mol |
| SMILES |
C(CCNC(OCC#CC)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850105 |
