| SpectraBase Spectrum ID |
AX9kOsmgDjq |
| Name |
Glutaric acid, ethyl hex-4-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.136159120 u |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-4-8-11(5-2)17-13(15)10-7-9-12(14)16-6-3/h11H,5-7,9-10H2,1-3H3 |
| InChIKey |
QZNNXROZCXVZBK-UHFFFAOYSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
CC#CC(OC(CCCC(OCC)=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963144 |
