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Caryophylla-2(12),6-dien-5-one
SpectraBase Compound ID KMeuqodvgHd
InChI InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-13H,1,6-9H2,2-4H3/b11-5-/t12-,13-/m1/s1
InChIKey UVPVOJNEDSOAHT-WNIKWDQDSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MLNxYuaulp
Name Caryophylla-2(12),6-dien-5-one
CAS Registry Number 61824-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-13H,1,6-9H2,2-4H3/b11-5-/t12-,13-/m1/s1
InChIKey UVPVOJNEDSOAHT-WNIKWDQDSA-N
Molecular Weight 218.340 g/mol
SMILES [C@]12([C@](C\C=C\(C)C(CCC2=C)=O)([H])C(C1)(C)C)[H]
SPLASH splash10-052f-9500000000-b0c69ace4cab06a0dcd7
Source of Spectrum H-66-1847-0
Synonyms (1R,3Z,9S)-4,11,11-trimethyl-8-methylene-5-bicyclo[7.2.0]undec-3-enone (1R,3Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-one (1R,3Z,9S)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-3-en-5-one
Wiley ID 1218196