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4-Thioacetoxy-butanoic acid, ethyl ester
SpectraBase Compound ID Ad2Ah4w4Gfi
InChI InChI=1S/C8H14O3S/c1-3-11-8(10)5-4-6-12-7(2)9/h3-6H2,1-2H3
InChIKey AKUUBUQNHOTPHG-UHFFFAOYSA-N
Mol Weight 190.26 g/mol
Molecular Formula C8H14O3S
Exact Mass 190.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHTLi7bEEid
Name 4-Thioacetoxy-butanoic acid, ethyl ester
CAS Registry Number 104228-51-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H14O3S
InChI InChI=1S/C8H14O3S/c1-3-11-8(10)5-4-6-12-7(2)9/h3-6H2,1-2H3
InChIKey AKUUBUQNHOTPHG-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference E. Block, S. Ahmad, J.L. Catalfamo, J. Am. Chem. Soc. 108, 7045 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3