| SpectraBase Spectrum ID |
61mHWplI5qk |
| Name |
Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.198759378 u |
| Formula |
C18H28O4 |
| InChI |
InChI=1S/C18H28O4/c1-6-9-15(5)16(13-12-14(3)4)22-18(20)11-8-10-17(19)21-7-2/h15-16H,3,6-11H2,1-2,4-5H3 |
| InChIKey |
APOAYNHPVDWQEL-UHFFFAOYSA-N |
| Molecular Weight |
308.418 g/mol |
| SMILES |
CC(=C)C#CC(OC(CCCC(OCC)=O)=O)C(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844817 |
