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3-Thioxo-thiobutyric acid, S-isopropyl ester
SpectraBase Compound ID 4wgq2a68Rdc
InChI InChI=1S/C7H12OS2/c1-5(2)10-7(8)4-6(3)9/h4-5,9H,1-3H3/b6-4-
InChIKey USHLVUKEHDSMEF-XQRVVYSFSA-N
Mol Weight 176.29 g/mol
Molecular Formula C7H12OS2
Exact Mass 176.032957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6EOUTAR4f1e
Name 3-Thioxo-thiobutyric acid, S-isopropyl ester
Comments (Z)-ENETHIOL FORM, C2 OF (E) FORM AT 121.0 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12OS2
InChI InChI=1S/C7H12OS2/c1-5(2)10-7(8)4-6(3)9/h4-5,9H,1-3H3/b6-4-
InChIKey USHLVUKEHDSMEF-XQRVVYSFSA-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