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2-MERCAPTO-3,5,7-TRIMETHYL-2,4,6-CYCLOHEPTATRIEN-1-ONE;2-MERCAPTO-3,5,7-TRIMETHYLTROPONE
SpectraBase Compound ID JiDb4EKo0fP
InChI InChI=1S/C10H12OS/c1-6-4-7(2)9(11)10(12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChIKey GFKMNCXVAZTVRY-UHFFFAOYSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQP3dGgF7S1
Name 2-MERCAPTO-3,5,7-TRIMETHYL-2,4,6-CYCLOHEPTATRIEN-1-ONE;2-MERCAPTO-3,5,7-TRIMETHYLTROPONE
CAS Registry Number 118575-22-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-6-4-7(2)9(11)10(12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChIKey GFKMNCXVAZTVRY-UHFFFAOYSA-N
Literature Reference Author K.HARTKE,W.F.RICHTER,W.MASSA,G.BAUM
Literature Reference Citation CHEM.BER.,122,657(1989)
Literature Reference DOI 10.1002/cber.19891220412
Molecular Weight 180.265 g/mol
Solvent CDCl3
Source File Reference UWGB1530