5-Methyl-2-thiophenecarboxylic acid(1918-79-2) 13C NMR
Product Name5-Methyl-2-thiophenecarboxylic acid
CAS1918-79-2
Molecular FormulaC6H6O2S
Molecular Weight142.18
InChIInChI=1S/C6H6O2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey VCNGNQLPFHVODE-UHFFFAOYSA-N
SmilesC1(C(O)=O)SC(C)=CC=1
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Assign. Shift(ppm)
A 9. B 7.704 C 6.800 D 2.545 J(B,C)=3.8HZ J(B,D)=0.4HZ J(C,D)=1.0HZSpectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
167.95 761 1 149.92 796 2 135.57 1000 3 130.25 547 4 126.78 886 5 15.88 602 6Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
