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4-Thiomethyl-2-thiophen-carboxylic-acid
SpectraBase Compound ID 5LDIybt9Zyq
InChI InChI=1S/C6H6O2S2/c7-6(8)5-1-4(2-9)3-10-5/h1,3,9H,2H2,(H,7,8)
InChIKey ABVGTWQVSWKCFI-UHFFFAOYSA-N
Mol Weight 174.23 g/mol
Molecular Formula C6H6O2S2
Exact Mass 173.980922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZWm72L3y6F
Name 4-THIOMETHYL-2-THIOPHEN-CARBOXYLIC-ACID
CAS Registry Number 61854-93-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6O2S2
InChI InChI=1S/C6H6O2S2/c7-6(8)5-1-4(2-9)3-10-5/h1,3,9H,2H2,(H,7,8)
InChIKey ABVGTWQVSWKCFI-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 174.232 g/mol
Solvent DMSO-D6
Source File Reference UNIW18694