| SpectraBase Compound ID | 4f11j8gfwEu |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-15(2)18-12-11-17(4)8-5-7-16(3)9-6-10-19(14-13-18)20(21)22/h7,10-12,15H,5-6,8-9,13-14H2,1-4H3,(H,21,22)/b16-7+,17-11+,18-12+,19-10- |
| InChIKey | PJVZQWKLUCVIQA-RJVZQQKXSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F87PY9I3Eo5 |
|---|---|
| Name | Crotocembraneic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-15(2)18-12-11-17(4)8-5-7-16(3)9-6-10-19(14-13-18)20(21)22/h7,10-12,15H,5-6,8-9,13-14H2,1-4H3,(H,21,22)/b16-7+,17-11+,18-12+,19-10- |
| InChIKey | PJVZQWKLUCVIQA-RJVZQQKXSA-N |
| Molecular Weight | 302.458 g/mol |
| SMILES | OC(\C=1CC\C(=C/C=C\(C)CC\C=C\(CCC\1)C)C(C)C)=O |
| SPLASH | splash10-0fkl-3901000000-7cbeb653e7443d0b1145 |
| Source of Spectrum | G4-61-654-1 |
| Synonyms | (1Z,5E,9E,11E)-12-isopropyl-5,9-dimethyl-cyclotetradeca-1,5,9,11-tetraene-1-carboxylic acid (1Z,5E,9E,11E)-5,9-dimethyl-12-propan-2-yl-1-cyclotetradeca-1,5,9,11-tetraenecarboxylic acid (1Z,5E,9E,11E)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,9,11-tetraene-1-carboxylic acid (1Z,5E,9E,11E)-5,9-dimethyl-12-propan-2-yl-cyclotetradeca-1,5,9,11-tetraene-1-carboxylic acid |
| Wiley ID | 1607235 |