| SpectraBase Spectrum ID |
CucYVf4krPn |
| Name |
Succinic acid, butyl tridec-2-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-20(22)24-18-6-4-2/h3-13,16-19H2,1-2H3 |
| InChIKey |
PZYKDCYIDUHWKO-UHFFFAOYSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
CCCCOC(CCC(OCC#CCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845394 |
