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Neocrotocembraneic Acid

View entire compound with spectra: 1 MS (GC)

Neocrotocembraneic Acid
SpectraBase Compound ID 1d6A3UmpZG0
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-UTPOLXMRSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeKpawtBZVS
Name Neocrotocembraneic Acid
Alternate Name(s) (1E,5E,9E,11E)-5,9-dimethyl-12-propan-2-yl-1-cyclotetradeca-1,5,9,11-tetraenecarboxylic acid (1E,5E,9E,11E)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,9,11-tetraene-1-carboxylic acid (1E,5E,9E,11E)-5,9-dimethyl-12-propan-2-yl-cyclotetradeca-1,5,9,11-tetraene-1-carboxylic acid
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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-UTPOLXMRSA-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 splash10-00du-3901000000-8d799a681b91a0c82da8
Source of Spectrum G4-61-654-2
Wiley ID 1607234