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Caryophylla-2(12),6(13)-dien-5-one

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Caryophylla-2(12),6(13)-dien-5-one
SpectraBase Compound ID DdovTogwLe1
InChI InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-13H,1-2,5-9H2,3-4H3/t12-,13-/m0/s1
InChIKey ZZHHIRFCRIFTAN-STQMWFEESA-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 1X9WB67x5vD
Name Caryophylla-2(12),6(13)-dien-5-one
CAS Registry Number 61824-43-9
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/h12-13H,1-2,5-9H2,3-4H3/t12-,13-/m0/s1
InChIKey ZZHHIRFCRIFTAN-STQMWFEESA-N
Molecular Weight 218.340 g/mol
SMILES [C@@]12([C@@](CCC(=C)C(CCC2=C)=O)([H])C(C1)(C)C)[H]
SPLASH splash10-0006-9400000000-88e393e16f8efa5afa29
Source of Spectrum H-66-1847-0
Wiley ID 1218198