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2,6-Naphthalenedione, 1,7,8,8a-tetrahydro-1-hydroxy-5,8a-dimethyl-3-(1-methylethyl)-, trans-(.+-.)-
SpectraBase Compound ID HUCk63ZZ3RZ
InChI InChI=1S/C15H20O3/c1-8(2)10-7-11-9(3)12(16)5-6-15(11,4)14(18)13(10)17/h7-8,14,18H,5-6H2,1-4H3/t14-,15+/m0/s1
InChIKey GDRQSJHEATUFRA-LSDHHAIUSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABmZGMVNcFK
Name 2,6-Naphthalenedione, 1,7,8,8a-tetrahydro-1-hydroxy-5,8a-dimethyl-3-(1-methylethyl)-, trans-(.+-.)-
CAS Registry Number 79492-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-8(2)10-7-11-9(3)12(16)5-6-15(11,4)14(18)13(10)17/h7-8,14,18H,5-6H2,1-4H3/t14-,15+/m0/s1
InChIKey GDRQSJHEATUFRA-LSDHHAIUSA-N
Molecular Weight 248.322 g/mol
SMILES O[C@@]1([C@]2(C(C=C(C1=O)C(C)C)=C(C(CC2)=O)C)C)[H]
SPLASH splash10-014i-0090000000-94bda5cf09e104e1fad7
Source of Spectrum K-114-2422-0
Synonyms (1R,8aR)-1-hydroxy-3-isopropyl-5,8a-dimethyl-1,7,8,8a-tetrahydro-2,6-naphthalenedione
Wiley ID 1251279