| SpectraBase Spectrum ID |
7VlhfTvR0VT |
| Name |
Glutaric acid, hexa-1,5-dien-3-yl 3-methylbut-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.167459249 u |
| Formula |
C16H24O4 |
| InChI |
InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h5-6,11,14H,1-2,7-10,12H2,3-4H3 |
| InChIKey |
JSUQWQBCOJDIJD-UHFFFAOYSA-N |
| SMILES |
C(CCC(OCC=C(C)C)=O)C(OC(C=C)CC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923658 |
