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3-Thioxo-thiobutyric acid, S-(2-methyl-propyl) ester
SpectraBase Compound ID BOa9tVWLwcv
InChI InChI=1S/C8H14OS2/c1-4-7(3)11-8(9)5-6(2)10/h5,7,10H,4H2,1-3H3/b6-5-
InChIKey CTTMZMAWCMNLJN-WAYWQWQTSA-N
Mol Weight 190.32 g/mol
Molecular Formula C8H14OS2
Exact Mass 190.048607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lsUc0vShZf
Name 3-Thioxo-thiobutyric acid, S-(2-methyl-propyl) ester
Comments (Z)-ENETHIOL FORM, C2 OF (E) FORM AT 121.1 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H14OS2
InChI InChI=1S/C8H14OS2/c1-4-7(3)11-8(9)5-6(2)10/h5,7,10H,4H2,1-3H3/b6-5-
InChIKey CTTMZMAWCMNLJN-WAYWQWQTSA-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