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mercaptoacetic acid, dithiobenzoate
SpectraBase Compound ID HADWmgIHkae
InChI InChI=1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey XBEIANFIOZTEDE-UHFFFAOYSA-N
Mol Weight 212.28 g/mol
Molecular Formula C9H8O2S2
Exact Mass 211.996572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oTJ1oKGpw0
Name Dithiobenzoic acid, ester with mercaptoacetic acid
CAS Registry Number 942-91-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H8O2S2
InChI InChI=1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey XBEIANFIOZTEDE-UHFFFAOYSA-N
Instrument Name Varian HA-100
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6