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14-ACETOXY-4,5-DIHYDRO-BETA-CARYOPHYLLENE
SpectraBase Compound ID CE4IU5JDMv2
InChI InChI=1S/C17H28O2/c1-12-6-5-7-14(11-19-13(2)18)8-9-16-15(12)10-17(16,3)4/h14-16H,1,5-11H2,2-4H3/t14-,15+,16+/m0/s1
InChIKey IUJQNPWRCLHBKE-ARFHVFGLSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXpWhniA8mN
Name 14-Acetoxy-4,5-dihydro-.beta.-cariophyllene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-12-6-5-7-14(11-19-13(2)18)8-9-16-15(12)10-17(16,3)4/h14-16H,1,5-11H2,2-4H3/t14-,15+,16+/m0/s1
InChIKey IUJQNPWRCLHBKE-ARFHVFGLSA-N
Molecular Weight 264.409 g/mol
SMILES [C@]12([C@](CC[C@@](COC(=O)C)(CCCC2=C)[H])([H])C(C1)(C)C)[H]
SPLASH splash10-0536-9400000000-77e45a2b0d76c0991537
Source of Spectrum G4-63-904-2
Synonyms [(1R,4S,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undecanyl]methyl acetate [(1R,4S,9S)-11,11-dimethyl-8-methylene-4-bicyclo[7.2.0]undecanyl]methyl acetate [(1R,4S,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undecanyl]methyl ethanoate
Wiley ID 1608483