![5-Heptenoic acid, 2-[(3,4,4a,5,6,8a-hexahydro-4,7-dimethyl-2H-1-benzopyran-2-yl)methylene]-6-methyl-, methyl ester, [2R-[2.alpha.(E),4.alpha.,4a.beta.,8a.beta.]]-](/api/spectrum/DIH9amePQIS/structure.png?h=300&w=458 "5-Heptenoic acid, 2-[(3,4,4a,5,6,8a-hexahydro-4,7-dimethyl-2H-1-benzopyran-2-yl)methylene]-6-methyl-, methyl ester, [2R-[2.alpha.(E),4.alpha.,4a.beta.,8a.beta.]]-")
| SpectraBase Compound ID | Bhcy3zApqlp |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-14(2)7-6-8-17(21(22)23-5)13-18-12-16(4)19-10-9-15(3)11-20(19)24-18/h7,11,13,16,18-20H,6,8-10,12H2,1-5H3/b17-13+ |
| InChIKey | FWNOCUQUJAKOGY-GHRIWEEISA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIH9amePQIS |
|---|---|
| Name | 5-HEPTENOIC ACID, 2-[(3,4,4A,5,6,8A-HEXAHYDRO-4,7-DIMETHYL-2H-1-BENZOPYRAN-2-YL)METHYLENE]-6-METHYL-METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-14(2)7-6-8-17(21(22)23-5)13-18-12-16(4)19-10-9-15(3)11-20(19)24-18/h7,11,13,16,18-20H,6,8-10,12H2,1-5H3/b17-13+ |
| InChIKey | FWNOCUQUJAKOGY-GHRIWEEISA-N |
| NMR Standard | TMS |
| Solvent | CDCL3 |