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1,7-Naphthalenedione, 2,3,4,4a,5,6-hexahydro-4a,5-dimethyl-3-(1-methylethenyl)-, [3S-(3.alpha.,4a.beta.,5.beta.)]-
SpectraBase Compound ID C0gynFo3RLX
InChI InChI=1S/C15H20O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h7,10-11H,1,5-6,8H2,2-4H3/t10?,11?,15-/m0/s1
InChIKey CEDQTRQWBOXWOT-NWHVRFAMSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7um13srZsmk
Name 1,7-Naphthalenedione, 2,3,4,4a,5,6-hexahydro-4a,5-dimethyl-3-(1-methylethenyl)-, [3S-(3.alpha.,4a.beta.,5.beta.)]-
CAS Registry Number 86925-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h7,10-11H,1,5-6,8H2,2-4H3/t10?,11?,15-/m0/s1
InChIKey CEDQTRQWBOXWOT-NWHVRFAMSA-N
Molecular Weight 232.323 g/mol
SMILES [C@]12(C(C(=O)CC(C2)C(=C)C)=CC(CC1C)=O)C
SPLASH splash10-002g-9500000000-6392a5ddc52859ced9a1
Source of Spectrum H-66-1387-0
Synonyms (+)-(3S,4aS,5R)-3-isopropenyl-4a,5-dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthoqu, (+)-(3S,4aS,5R)-isopropenyl-4a,5-dimethyl-2,3,4,4a,5,6,-hexahydro-1,7-naphthoquinone (4aS)-3-isopropenyl-4a,5-dimethyl-2,3,4,4a,5,6-hexahydro-1,7-naphthalenedione
Wiley ID 1234143