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Back ChemicalBook Home>CAS DataBase List>5780-36-9More Spectrum> 2-(METHYLTHIO)THIOPHENE(5780-36-9) IR1

5780-36-9

2-(METHYLTHIO)THIOPHENE(5780-36-9) IR1

Product Name2-(METHYLTHIO)THIOPHENE

Molecular FormulaC5H6S2

Molecular Weight130.23

InChIInChI=1S/C5H6S2/c1-6-5-3-2-4-7-5/h2-4H,1H3

InChIKey ZLSMPEVZXWDWEK-UHFFFAOYSA-N

SmilesC1(SC)SC=CC=1

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2-(METHYLTHIO)THIOPHENE(5780-36-9) IR1

    Parameter     ppm  Hz

      D(A)         7.07
      D(B)         6.96
      D(C)         7.40
       J(A,B)          3.60
       J(A,C)          1.26
       J(B,C)          5.36
     
      D(D)         2.45
     
     FRINGUELLI,F. ET AL. ACTA CHEM.SCAND. B 28, 175 (1974)

Spectral Code: 1H NMR : parameter in acetone-d6

Spectral Code: IR : KBr disc

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2-(METHYLTHIO)THIOPHENE(5780-36-9) IR1 Atlas of Related Products

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