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2-Mercapto-benzeneacetic acid
SpectraBase Compound ID 96GFlnWBHbH
InChI InChI=1S/C8H8O2S/c9-8(10)5-6-3-1-2-4-7(6)11/h1-4,11H,5H2,(H,9,10)
InChIKey QUCMZSJETXEAMC-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C8H8O2S
Exact Mass 168.024501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyqRieZn0J8
Name 2-Mercapto-benzeneacetic acid
CAS Registry Number 39161-85-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H8O2S
InChI InChI=1S/C8H8O2S/c9-8(10)5-6-3-1-2-4-7(6)11/h1-4,11H,5H2,(H,9,10)
InChIKey QUCMZSJETXEAMC-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference E. Block, S. Ahmad, J.L. Catalfamo, J. Am. Chem. Soc. 108, 7045 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3