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2-HYDROXY-2-(METHYLTHIO)VALERIC ACID, METHYL ESTER, ACETATE
SpectraBase Compound ID 8TqdnDuXg73
InChI InChI=1S/C9H16O4S/c1-5-6-9(14-4,8(11)12-3)13-7(2)10/h5-6H2,1-4H3
InChIKey HXWZBBVZZQVGHI-UHFFFAOYSA-N
Mol Weight 220.28 g/mol
Molecular Formula C9H16O4S
Exact Mass 220.07693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cwEOLc5ZaV
Name Methyl-2-acetoxy-2-methylthio-pentanoate
CAS Registry Number 63608-58-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H16O4S
InChI InChI=1S/C9H16O4S/c1-5-6-9(14-4,8(11)12-3)13-7(2)10/h5-6H2,1-4H3
InChIKey HXWZBBVZZQVGHI-UHFFFAOYSA-N
Instrument Name Bruker HX-270
Literature Reference B.M. Trost, G.S. Massiot, J. Am. Chem. Soc. 99, 4405 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3