![7-[(E)-5-(3-Hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enoxy]chromen-2-one](/api/spectrum/9etLAzXV7DL/structure.png?h=300&w=458 "7-[(E)-5-(3-Hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enoxy]chromen-2-one")
| SpectraBase Compound ID | ETZlNThcaqH |
|---|---|
| InChI | InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,20,22,25H,2,5-6,10-11,14H2,1,3-4H3/b16-13+ |
| InChIKey | XXKXCRGLMFAXTK-DTQAZKPQSA-N |
| Mol Weight | 382.5 g/mol |
| Molecular Formula | C24H30O4 |
| Exact Mass | 382.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9etLAzXV7DL |
|---|---|
| Name | 7-[(E)-5-(3-Hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enoxy]chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.214409442 u |
| Formula | C24H30O4 |
| InChI | InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,20,22,25H,2,5-6,10-11,14H2,1,3-4H3/b16-13+ |
| InChIKey | XXKXCRGLMFAXTK-DTQAZKPQSA-N |
| Molecular Weight | 382.500 g/mol |
| SMILES | C1=C(C=C2C(=C1)C=CC(O2)=O)OC\C=C\(CCC1C(CCC(C1(C)C)O)=C)C |