| SpectraBase Spectrum ID |
BiCD9JtnjeS |
| Name |
Glutaric acid, tridec-2-yn-1-yl 2-methylpentyl 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/c1-4-6-7-8-9-10-11-12-13-14-15-20-27-23(25)18-16-19-24(26)28-21-22(3)17-5-2/h22H,4-13,16-21H2,1-3H3 |
| InChIKey |
ZMMVJQNGFSYSOV-UHFFFAOYSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846038 |
