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1,7-Naphthalenedione, octahydro-4a,8-dimethyl-, (4a.alpha.,8.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID LgOoR53IbUb
InChI InChI=1S/C12H18O2/c1-8-9(13)5-7-12(2)6-3-4-10(14)11(8)12/h8,11H,3-7H2,1-2H3/t8-,11-,12-/m0/s1
InChIKey MIYYVCDTPVPYRO-UWJYBYFXSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SdIJ6T3Q7q
Name 1,7-Naphthalenedione, octahydro-4a,8-dimethyl-, (4a.alpha.,8.alpha.,8a.alpha.)-(.+-.)-
CAS Registry Number 87262-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8-9(13)5-7-12(2)6-3-4-10(14)11(8)12/h8,11H,3-7H2,1-2H3/t8-,11-,12-/m0/s1
InChIKey MIYYVCDTPVPYRO-UWJYBYFXSA-N
Molecular Weight 194.274 g/mol
SMILES [C@]12([C@](CCC([C@@]2(C)[H])=O)(CCCC1=O)C)[H]
SPLASH splash10-00rf-0900000000-e4881d3d101f71297eb8
Source of Spectrum J-48-4385-0
Synonyms (4aS,8R,8aR)-4a,8-dimethyloctahydro-1,7-naphthalenedione 4a.beta.,8.alpha.-dimethyl-3,4,4a,5,6,8a.beta.-hexahydronaphthalene-1(2H),7(8H)-dione
Wiley ID 1191023