| SpectraBase Spectrum ID |
2ATdqnb74bX |
| Name |
Glutaric acid, pentyl tridec-2-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-3-5-7-8-9-10-11-12-13-14-16-21-27-23(25)19-17-18-22(24)26-20-15-6-4-2/h3-13,15,17-21H2,1-2H3 |
| InChIKey |
UHIAVBNVBPUXSC-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
CCCCCOC(CCCC(OCC#CCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88422 |
