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3-(1-Mercapto-2-methoxycarbonyl-prop-2-yl)-5,5-dimethyl-cyclohex-2-enone

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3-(1-Mercapto-2-methoxycarbonyl-prop-2-yl)-5,5-dimethyl-cyclohex-2-enone
SpectraBase Compound ID 6BqH358Xidj
InChI InChI=1S/C13H20O3S/c1-12(2)6-9(5-10(14)7-12)13(3,8-17)11(15)16-4/h5,17H,6-8H2,1-4H3
InChIKey TVZMMLVJAADLFQ-UHFFFAOYSA-N
Mol Weight 256.36 g/mol
Molecular Formula C13H20O3S
Exact Mass 256.113316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XsN7IFg3t
Name 3-(1-Mercapto-2-methoxycarbonyl-prop-2-yl)-5,5-dimethyl-cyclohex-2-enone
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-12(2)6-9(5-10(14)7-12)13(3,8-17)11(15)16-4/h5,17H,6-8H2,1-4H3
InChIKey TVZMMLVJAADLFQ-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference T. Nishio, J. Chem. Soc. Perkin I 1225 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3