| SpectraBase Spectrum ID |
GBAb4tgPGGe |
| Name |
Glutaric acid, nonyl tridec-2-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.355260022 u |
| Formula |
C27H48O4 |
| InChI |
InChI=1S/C27H48O4/c1-3-5-7-9-11-12-13-14-16-18-20-25-31-27(29)23-21-22-26(28)30-24-19-17-15-10-8-6-4-2/h3-17,19,21-25H2,1-2H3 |
| InChIKey |
SZTSFSXGTQMLAF-UHFFFAOYSA-N |
| Molecular Weight |
436.677 g/mol |
| SMILES |
CCCCCCCCCOC(CCCC(OCC#CCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870752 |
