Product Name3-Methyl-2-thiophenecarboxylic acid
CAS23806-24-8
Molecular FormulaC6H6O2S
Molecular Weight142.18
InChIInChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey IFLKEBSJTZGCJG-UHFFFAOYSA-N
SmilesC1(C(O)=O)SC=CC=1C
Mass
MS-NW-7819 3-methyl-2-thenoic acid C6H6O2S (Mass of molecular ion: 142)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 4.6 37.0 1.4 38.0 2.1 39.0 5.3 44.0 1.0 45.0 21.7 47.0 1.6 48.0 2.2 50.0 3.1 51.0 4.6 52.0 1.7 53.0 17.5 57.0 2.1 58.0 2.7 62.0 5.0 63.0 1.6 69.0 9.4 70.0 7.1 71.0 3.2 81.0 1.3 82.0 1.4 85.0 3.0 93.0 1.2 95.0 2.7 96.0 23.0 97.0 66.5 98.0 5.7 99.0 3.2 113.0 1.0 124.0 33.4 125.0 43.2 126.0 4.8 127.0 2.3 141.0 10.7 142.0 100.0 143.0 8.5 144.0 5.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H6 O2 S | 0.032 g : 0.5 ml CDCl3 |
3-methyl-2-thenoic acid |
Assign. Shift(ppm) |
Hz ppm Int.
1099.56 12.278 43 674.62 7.533 33 672.40 7.508 305 667.44 7.453 363 624.38 6.972 345 623.95 6.967 310 622.07 6.946 39 621.73 6.943 39 619.42 6.917 273 230.63 2.576 1000
in CDCl3
KBr disc
nujol mull
3-Methyl-2-thiophenecarboxylic acid(23806-24-8) IR1 Atlas of Related Products
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