| SpectraBase Spectrum ID |
6RglzwvDof7 |
| Name |
Succinic acid, 2,7-dimethyloctnon-5-yn-7-en-4-yl pentyl 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/c1-6-7-8-13-22-18(20)11-12-19(21)23-17(14-16(4)5)10-9-15(2)3/h16-17H,2,6-8,11-14H2,1,3-5H3 |
| InChIKey |
DTIDSCRCJYCJNZ-UHFFFAOYSA-N |
| Molecular Weight |
322.445 g/mol |
| SMILES |
CCCCCOC(CCC(OC(C#CC(=C)C)CC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831067 |
