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2,2'-thiobis[5,5-dimethyl-1,3-cyclohexanedione]
SpectraBase Compound ID IbTdgw8K0wE
InChI InChI=1S/C16H22O4S/c1-15(2)5-9(17)13(10(18)6-15)21-14-11(19)7-16(3,4)8-12(14)20/h17,19H,5-8H2,1-4H3
InChIKey MOUDNIMDHLSOPN-UHFFFAOYSA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Z5MH9UikyB
Name 2-cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-5,5-dimethyl-
CAS Registry Number 66102-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-15(2)5-9(17)13(10(18)6-15)21-14-11(19)7-16(3,4)8-12(14)20/h17,19H,5-8H2,1-4H3
InChIKey MOUDNIMDHLSOPN-UHFFFAOYSA-N
Molecular Weight 310.408 g/mol
SMILES OC1=C(SC2=C(CC(CC2=O)(C)C)O)C(CC(C1)(C)C)=O
SPLASH splash10-01q9-9206000000-21f8d9bbf48d03809cc2
Source of Spectrum J-52-172-13
Synonyms 2-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)sulfanyl-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one 3-Hydroxy-2-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)sulfanyl-5,5-dimethyl-cyclohex-2-en-1-one 3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)thio]-5,5-dimethyl-1-cyclohex-2-enone 3-Hydroxy-2-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)thio]-5,5-dimethyl-cyclohex-2-en-1-one
Wiley ID 1311384