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4-(Phenylsulfonmethyl)-2-thiophen-carboxylic-acid
SpectraBase Compound ID IfACRHNaMBS
InChI InChI=1S/C12H10O4S2/c13-12(14)11-6-9(7-17-11)8-18(15,16)10-4-2-1-3-5-10/h1-7H,8H2,(H,13,14)
InChIKey ALSYYRXHEMXOHK-UHFFFAOYSA-N
Mol Weight 282.33 g/mol
Molecular Formula C12H10O4S2
Exact Mass 282.002051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4AXJvVfvczh
Name 4-(Phenylsulfonmethyl)-2-thiophen-carboxylic-acid
CAS Registry Number 61854-95-3
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H10O4S2
InChI InChI=1S/C12H10O4S2/c13-12(14)11-6-9(7-17-11)8-18(15,16)10-4-2-1-3-5-10/h1-7H,8H2,(H,13,14)
InChIKey ALSYYRXHEMXOHK-UHFFFAOYSA-N
Instrument Name SF = 060 MHz
Literature Reference J. Org. Chem. 45, 1366 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6