| SpectraBase Spectrum ID |
1QH9dNRszQR |
| Name |
Glutaric acid, tridec-2-yn-1-yl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.339609957 u |
| Formula |
C26H46O4 |
| InChI |
InChI=1S/C26H46O4/c1-4-7-9-10-11-12-13-14-15-16-17-22-29-25(27)20-18-21-26(28)30-23-24(6-3)19-8-5-2/h24H,4-15,18-23H2,1-3H3 |
| InChIKey |
LLHULHYGQHHSLK-UHFFFAOYSA-N |
| Molecular Weight |
422.650 g/mol |
| SMILES |
C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC(CC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921245 |
