| SpectraBase Spectrum ID |
2qVeJFG4ntX |
| Name |
2-Cyclohexene-1-carboxylic acid, 2-(7-hydroxy-3-methyl-1,3-octadienyl)-1,3-dimethyl-4-oxo-, methyl ester, [R-[R*,S*-(E,E)]]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.198759378 u |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-13(7-6-8-14(2)20)9-10-16-15(3)17(21)11-12-19(16,4)18(22)23-5/h7,9-10,14,20H,6,8,11-12H2,1-5H3/b10-9+,13-7+ |
| InChIKey |
KVBYPCQTYBIUJI-GSSAJISUSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C(OC)(=O)C1(C)C(\C=C\C(=C\CCC(C)O)C)=C(C)C(CC1)=O |
![2-Cyclohexene-1-carboxylic acid, 2-(7-hydroxy-3-methyl-1,3-octadienyl)-1,3-dimethyl-4-oxo-, methyl ester, [R-[R*,S*-(E,E)]]-](/api/spectrum/2qVeJFG4ntX/structure.png?h=300&w=458 "2-Cyclohexene-1-carboxylic acid, 2-(7-hydroxy-3-methyl-1,3-octadienyl)-1,3-dimethyl-4-oxo-, methyl ester, [R-[R*,S*-(E,E)]]-")
