| SpectraBase Spectrum ID |
BhcdevAGeyX |
| Name |
Glutaric acid, pent-2-en-1-yl 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 |
378.277009700 u |
| Formula |
C23H38O4 |
| InChI |
InChI=1S/C23H38O4/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/h6,15H,3-5,7-13,17-21H2,1-2H3/b15-6+ |
| InChIKey |
OVEVEVSYMSONQZ-GIDUJCDVSA-N |
| Molecular Weight |
378.553 g/mol |
| SMILES |
C(CCC(OCC#CCCCCCCCCCC)=O)C(OC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819208 |
