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1,7-Naphthalenedione, octahydro-4a,5-dimethyl-3-(1-methylethenyl)-, [3S-(3.alpha.,4a.beta.,5.beta.,8a.alpha.)]-
SpectraBase Compound ID wtlibIgTEr
InChI InChI=1S/C15H22O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h10-11,13H,1,5-8H2,2-4H3/t10-,11-,13-,15+/m1/s1
InChIKey FFYAYKVAOOBUBP-CVMIBZJCSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8S3pmJyKNCt
Name 1,7-Naphthalenedione, octahydro-4a,5-dimethyl-3-(1-methylethenyl)-, [3S-(3.alpha.,4a.beta.,5.beta.,8a.alpha.)]-
CAS Registry Number 86917-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h10-11,13H,1,5-8H2,2-4H3/t10-,11-,13-,15+/m1/s1
InChIKey FFYAYKVAOOBUBP-CVMIBZJCSA-N
Molecular Weight 234.339 g/mol
SMILES [C@]12([C@@](C(=O)C[C@](C2)(C(=C)C)[H])(CC(C[C@]1(C)[H])=O)[H])C
SPLASH splash10-014i-9410000000-c10abf6e09d7b2e2b746
Source of Spectrum H-66-1388-0
Synonyms (+)-(3S,4aS,5R,8aS)-3-isopropenyl-4a,5-dimethyl-perhydro-1,7-naphthoquinone (3S,4aS,5R,8aS)-3-isopropenyl-4a,5-dimethyloctahydro-1,7-naphthalenedione
Wiley ID 1236330