| SpectraBase Spectrum ID |
4RtOeiYeXbs |
| Name |
Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.214409442 u |
| Formula |
C19H30O4 |
| InChI |
InChI=1S/C19H30O4/c1-6-9-16(5)17(13-12-15(3)4)23-19(21)11-8-10-18(20)22-14-7-2/h16-17H,3,6-11,14H2,1-2,4-5H3 |
| InChIKey |
YZRKGDUOBYZKPB-UHFFFAOYSA-N |
| Molecular Weight |
322.445 g/mol |
| SMILES |
C=C(C#CC(OC(CCCC(OCCC)=O)=O)C(CCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879905 |
