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3-Thioxo-thiobutyric acid, S-ethyl ester
SpectraBase Compound ID DmhuUa0RGST
InChI InChI=1S/C6H10OS2/c1-3-9-6(7)4-5(2)8/h4,8H,3H2,1-2H3/b5-4-
InChIKey WDPJCAICDFMNPR-PLNGDYQASA-N
Mol Weight 162.27 g/mol
Molecular Formula C6H10OS2
Exact Mass 162.017307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8z26HsxoKWo
Name 3-Thioxo-thiobutyric acid, S-ethyl ester
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H10OS2
InChI InChI=1S/C6H10OS2/c1-3-9-6(7)4-5(2)8/h4,8H,3H2,1-2H3/b5-4-
InChIKey WDPJCAICDFMNPR-PLNGDYQASA-N
Instrument Name Jeol FX-90
Literature Reference F. Duns, P.E. Hansen, Org. Magn. Resonance 22, 16 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3