2-Thiophenecarboxylic acid(527-72-0) IR1
Product Name2-Thiophenecarboxylic acid
CAS527-72-0
Molecular FormulaC5H4O2S
Molecular Weight128.15
InChIInChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKey QERYCTSHXKAMIS-UHFFFAOYSA-N
SmilesC1(C(O)=O)SC=CC=1
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MassMS-NW-1396 2-thiophenecarboxylic acid C5H4O2S (Mass of molecular ion: 128)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.5 26.0 1.2 28.0 1.5 37.0 3.9 38.0 6.2 39.0 38.7 40.0 1.6 41.0 1.0 44.0 2.4 45.0 15.5 49.0 1.6 50.0 4.2 51.0 1.1 53.0 1.8 57.0 9.5 58.0 6.1 69.0 1.7 81.0 3.4 82.0 3.9 83.0 10.2 84.0 1.7 100.0 2.0 111.0 100.0 112.0 6.2 113.0 4.8 128.0 86.3 129.0 5.5 130.0 4.4
parameter in acetone-d6
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1H NMR 300 MHz C5 H4 O2 S in acetone-d6 2-thiophenecarboxylic acid 
Parameter ppm Hz
D(A) 7.80 D(B) 7.15 D(C) 7.78 J(A,B) 3.67 J(A,C) 1.16 J(B,C) 5.03 D(D) 9.56 FRINGUELLI,F. ET AL. ACTA CHEM.SCAND. B 28, 175 (1974)
Hz ppm Int.2868.01 9.560 1000 2342.49 7.808 230 2341.36 7.805 326 2338.82 7.796 264 2337.62 7.792 425 2337.14 7.790 419 2335.92 7.786 243 2332.05 7.773 329 2330.92 7.770 244 2149.29 7.164 266 2145.62 7.152 274 2144.28 7.148 270 2140.62 7.135 243
KBr disc
nujol mull
