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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 KEFGywjjEaj
Name 4-PHENYLSULPHONYLMETHYLTHIOPHENE-2-CARBOXYLIC ACID
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 Varian XL-100
Literature Reference I.STIBOR, L.RADICS, M.JANDA, J.SROGL, M.NEMEC (1977) Coll.Czech.Chem.Comm.:v.42, N7, 2167-2170.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/C2D6SO