| SpectraBase Spectrum ID |
JKK3PEV0pz9 |
| Name |
Succinic acid, propyl tridec-2-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-24-20(22)16-15-19(21)23-17-4-2/h3-12,15-18H2,1-2H3 |
| InChIKey |
DXMMETSPPJRZQM-UHFFFAOYSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
CCCOC(CCC(OCC#CCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844742 |
