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5,5-Dimethyl-2-(1,3-dithian-2-yl)-3-hydroxycyclohex-2-enone
SpectraBase Compound ID AzCVbCHA7KH
InChI InChI=1S/C12H18O2S2/c1-12(2)6-8(13)10(9(14)7-12)11-15-4-3-5-16-11/h10-11H,3-7H2,1-2H3
InChIKey BQDYVFJHDMGJGP-UHFFFAOYSA-N
Mol Weight 258.39 g/mol
Molecular Formula C12H18O2S2
Exact Mass 258.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3FUVM4lSj3
Name 5,5-Dimethyl-2-(1,3-dithian-2-yl)-3-hydroxycyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2S2
InChI InChI=1S/C12H18O2S2/c1-12(2)6-8(13)10(9(14)7-12)11-15-4-3-5-16-11/h10-11H,3-7H2,1-2H3
InChIKey BQDYVFJHDMGJGP-UHFFFAOYSA-N
Molecular Weight 258.394 g/mol
SMILES C1(C(CC(CC1=O)(C)C)=O)C1SCCCS1
SPLASH splash10-0a7i-0590000000-fbf818f63ba3a6c40294
Source of Spectrum F-53-17159-28
Synonyms 2-(1,3-dithian-2-yl)-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one 5,5-Dimethyl-2-(1,3-dithian-2-yl)-cyclohexane-1,3-dione
Wiley ID 804950