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2,6,10,12-Cyclotetradecatetraen-1-one, 2,6,10-trimethyl-13-(1-methylethyl)-, (all-E)-
SpectraBase Compound ID EQyhvfljtrl
InChI InChI=1S/C20H30O/c1-15(2)19-13-12-17(4)9-6-8-16(3)10-7-11-18(5)20(21)14-19/h8,11-13,15H,6-7,9-10,14H2,1-5H3/b16-8+,17-12+,18-11+,19-13+
InChIKey WNTXYFIUKVPLAB-NRUWJBHMSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMF4TyXgj78
Name 2,6,10,12-Cyclotetradecatetraen-1-one, 2,6,10-trimethyl-13-(1-methylethyl)-, (all-E)-
CAS Registry Number 83864-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O
InChI InChI=1S/C20H30O/c1-15(2)19-13-12-17(4)9-6-8-16(3)10-7-11-18(5)20(21)14-19/h8,11-13,15H,6-7,9-10,14H2,1-5H3/b16-8+,17-12+,18-11+,19-13+
InChIKey WNTXYFIUKVPLAB-NRUWJBHMSA-N
Molecular Weight 286.459 g/mol
SMILES C1\C(=C\C=C/(CC(\C(=C\CC\C(=C\C1)C)C)=O)C(C)C)C
SPLASH splash10-052o-9420000000-6c844de38e457138c26b
Source of Spectrum B-35-1879-0
Synonyms 13-isopropyl-2,6,10-trimethyl-2,6,10,12-cyclotetradecatetraen-1-one Cembra-1,3,7,11-tetraen-13-one
Wiley ID 1290412