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2-Thioethyl-4-thiophen-carboxylic-acid
SpectraBase Compound ID 3UgoJYb5gL6
InChI InChI=1S/C8H10O2S2/c1-2-11-5-7-3-6(4-12-7)8(9)10/h3-4H,2,5H2,1H3,(H,9,10)
InChIKey VDVCBHJJDYGSNP-UHFFFAOYSA-N
Mol Weight 202.29 g/mol
Molecular Formula C8H10O2S2
Exact Mass 202.012222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hpxub1Youqb
Name 2-THIOETHYL-4-THIOPHEN-CARBOXYLIC-ACID
CAS Registry Number 61855-01-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10O2S2
InChI InChI=1S/C8H10O2S2/c1-2-11-5-7-3-6(4-12-7)8(9)10/h3-4H,2,5H2,1H3,(H,9,10)
InChIKey VDVCBHJJDYGSNP-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 202.286 g/mol
Solvent DMSO-D6
Source File Reference UNIW18706