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3(RS)-Hydroxy-2(RS),4-dimethyl-1-oxo-1-thiophenyl-4-pentene

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3(RS)-Hydroxy-2(RS),4-dimethyl-1-oxo-1-thiophenyl-4-pentene
SpectraBase Compound ID T6mAviDk3X
InChI InChI=1S/C13H16O2S/c1-9(2)12(14)10(3)13(15)16-11-7-5-4-6-8-11/h4-8,10,12,14H,1H2,2-3H3
InChIKey FUNQBHYQPSLLKC-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7YEviwqdp6D
Name 3(RS)-Hydroxy-2(RS),4-dimethyl-1-oxo-1-thiophenyl-4-pentene
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-9(2)12(14)10(3)13(15)16-11-7-5-4-6-8-11/h4-8,10,12,14H,1H2,2-3H3
InChIKey FUNQBHYQPSLLKC-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference D. Patel, F. Vanmiddlesworth, J. Donaubauer, J. Am. Chem. Soc. 108, 4603 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3