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3-Thioxo-butyric acid, ethyl ester
SpectraBase Compound ID 1IxehOxKTos
InChI InChI=1S/C6H10O2S/c1-3-8-6(7)4-5(2)9/h4,9H,3H2,1-2H3/b5-4-
InChIKey YXEQOFAVTARLJF-PLNGDYQASA-N
Mol Weight 146.2 g/mol
Molecular Formula C6H10O2S
Exact Mass 146.040151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1R8R73C9P4V
Name 3-Thioxo-butyric acid, ethyl ester
CAS Registry Number 4394-96-1
Comments (Z)-ENETHIOL FORM, C2 OF (E) FORM AT 114.4 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H10O2S
InChI InChI=1S/C6H10O2S/c1-3-8-6(7)4-5(2)9/h4,9H,3H2,1-2H3/b5-4-
InChIKey YXEQOFAVTARLJF-PLNGDYQASA-N
Instrument Name Bruker WH-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