| SpectraBase Spectrum ID |
7JFYs9vHcKK |
| Name |
Glutaric acid, tridec-2-yn-1-yl 2-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-4-6-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-20-21(3)5-2/h21H,4-13,16-20H2,1-3H3 |
| InChIKey |
YUUVQWMIJIXOFK-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851242 |
