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3,9-Dihydroxy-6,10,10-trimethylbicyclo[4.4.0]dec-1-en-5-one
SpectraBase Compound ID BJHbQWWrepi
InChI InChI=1S/C13H20O3/c1-12(2)9-6-8(14)7-11(16)13(9,3)5-4-10(12)15/h6,8,10,14-15H,4-5,7H2,1-3H3/t8-,10-,13-/m1/s1
InChIKey DQLUJHULJNOLKF-ZDSQKVDBSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBLKvI7THj
Name 3,9-Dihydroxy-6,10,10-trimethylbicyclo[4.4.0]dec-1-en-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-12(2)9-6-8(14)7-11(16)13(9,3)5-4-10(12)15/h6,8,10,14-15H,4-5,7H2,1-3H3/t8-,10-,13-/m1/s1
InChIKey DQLUJHULJNOLKF-ZDSQKVDBSA-N
Molecular Weight 224.300 g/mol
SMILES O[C@]1(CC([C@]2(C(C([C@@](CC2)(O)[H])(C)C)=C1)C)=O)[H]
SPLASH splash10-0002-1930000000-6883548aec3a13a60c29
Source of Spectrum F-50-8416-41
Synonyms (3S,6R,8aR)-3,6-Dihydroxy-5,5,8a-trimethyl-3,5,6,7,8,8a-hexahydro-2H-naphthalen-1-one 3,6-Dihydroxy-5,5,8a-trimethyl-3,5,6,7,8,8a-hexahydro-1(2H)-naphthalenone 3,9-Dihydroxy-6,10,10-trimethylbicyclo[4.4.0]dec-1-en-5-one isomer
Wiley ID 1225414