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2-Thiomethyl-4-thiophen-carboxylic-acid
SpectraBase Compound ID 4AuScrqLltY
InChI InChI=1S/C6H6O2S2/c7-6(8)4-1-5(2-9)10-3-4/h1,3,9H,2H2,(H,7,8)
InChIKey IFHTWOWZKQWIPS-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 LRssX9qVwkA
Name 2-THIOMETHYL-4-THIOPHEN-CARBOXYLIC-ACID
CAS Registry Number 61855-00-3
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)4-1-5(2-9)10-3-4/h1,3,9H,2H2,(H,7,8)
InChIKey IFHTWOWZKQWIPS-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 UNIW18703