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1,6(2H,5H)-Naphthalenedione, 3,4,4a,8a-tetrahydro-8,8a-dimethyl-, trans-
SpectraBase Compound ID K1lgiXMTHhT
InChI InChI=1S/C12H16O2/c1-8-6-10(13)7-9-4-3-5-11(14)12(8,9)2/h6,9H,3-5,7H2,1-2H3/t9-,12-/m0/s1
InChIKey LNRREGUIFFSFIN-CABZTGNLSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmOAAUzpmIA
Name 1,6(2H,5H)-Naphthalenedione, 3,4,4a,8a-tetrahydro-8,8a-dimethyl-, trans-
CAS Registry Number 105090-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-8-6-10(13)7-9-4-3-5-11(14)12(8,9)2/h6,9H,3-5,7H2,1-2H3/t9-,12-/m0/s1
InChIKey LNRREGUIFFSFIN-CABZTGNLSA-N
Molecular Weight 192.258 g/mol
SMILES C=1([C@]2([C@](CCCC2=O)([H])CC(C1)=O)C)C
SPLASH splash10-03fr-3900000000-bb0f52afd683258b390c
Source of Spectrum J-52-119-36
Synonyms (4aS,8aR)-8,8a-dimethyl-3,4,4a,8a-tetrahydro-1,6(2H,5H)-naphthalenedione trans-3,4,4a,8a-tetrahydro-8,8a-dimethylanphthalene-1,6(2H,5H)-dione
Wiley ID 1188727