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Ethyl-2-chloro-1-hydroxy.alpha.-(phenylthio)-cyclohexane-acetate

View entire compound with spectra: 2 NMR

Ethyl-2-chloro-1-hydroxy.alpha.-(phenylthio)-cyclohexane-acetate
SpectraBase Compound ID AKO2KRNo8rb
InChI InChI=1S/C16H21ClO3S/c1-2-20-15(18)14(21-12-8-4-3-5-9-12)16(19)11-7-6-10-13(16)17/h3-5,8-9,13-14,19H,2,6-7,10-11H2,1H3
InChIKey JMRJLGUMSPTEJD-UHFFFAOYSA-N
Mol Weight 328.85 g/mol
Molecular Formula C16H21ClO3S
Exact Mass 328.089993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdqcA8ZdmyT
Name Ethyl-2-chloro-1-hydroxy.alpha.-(phenylthio)-cyclohexane-acetate
CAS Registry Number 77320-66-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H21ClO3S
InChI InChI=1S/C16H21ClO3S/c1-2-20-15(18)14(21-12-8-4-3-5-9-12)16(19)11-7-6-10-13(16)17/h3-5,8-9,13-14,19H,2,6-7,10-11H2,1H3
InChIKey JMRJLGUMSPTEJD-UHFFFAOYSA-N
Instrument Name SF = 100 MHz
Literature Reference J. Org. Chem. 46, 2924 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3