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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 AihZ1gQVGAJ
Name 4-(PHENYLSULFONMETHYL)-2-THIOPHEN-CARBOXYLIC-ACID
CAS Registry Number 61854-95-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author A.PERJESSY,M.JANDA,D.W.BOYKIN
Literature Reference Citation J.ORG.CHEM.,45,1366(1980)
Literature Reference DOI 10.1021/jo01296a004
Molecular Weight 282.329 g/mol
Solvent DMSO-D6
Source File Reference UNIW18699