| SpectraBase Spectrum ID |
81ASHVkRB1C |
| Name |
Succinic acid, heptyl tridec-2-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-3-5-7-9-10-11-12-13-14-16-18-22-28-24(26)20-19-23(25)27-21-17-15-8-6-4-2/h3-15,17,19-22H2,1-2H3 |
| InChIKey |
XFNKDCKWRMPEQW-UHFFFAOYSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
CCCCCCCOC(CCC(OCC#CCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963436 |
