| SpectraBase Spectrum ID |
EdsEZnHEq1y |
| Name |
Glutaric acid, (2-methylcyclohex-1-enyl)methyl tridec-2-yn-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-29-25(27)19-16-20-26(28)30-22-24-18-14-13-17-23(24)2/h3-11,13-14,16-22H2,1-2H3 |
| InChIKey |
JFQGJLYZATXKLS-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC1=C(C)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930092 |
