3-Ethylthiophene(1795-01-3) 1H NMR
Product Name3-Ethylthiophene
CAS1795-01-3
Molecular FormulaC6H8S
Molecular Weight112.19
InChIInChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3
InChIKey SLDBAXYJAIRQMX-UHFFFAOYSA-N
SmilesC1SC=CC=1CC
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MassMS-NW-6623 3-ethylthiophene C6H8S (Mass of molecular ion: 112)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.5 38.0 1.8 39.0 7.6 41.0 1.7 45.0 15.0 47.0 1.0 50.0 2.1 51.0 2.9 53.0 6.0 57.0 1.6 58.0 3.1 59.0 1.0 63.0 1.2 65.0 2.0 67.0 2.0 69.0 2.9 70.0 1.0 71.0 1.8 77.0 3.7 78.0 1.5 81.0 1.0 82.0 1.1 84.0 3.8 85.0 2.5 97.0 100.0 98.0 6.5 99.0 4.7 109.0 1.2 111.0 8.4 112.0 46.5 113.0 4.0 114.0 2.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H8 S 0.05 ml : 0.5 ml CDCl3 3-ethylthiophene 
Assign. Shift(ppm)
A 7.185 B 6.91 C 6.89 D 2.639 E 1.223 J(A,B)=4.9HZ J(A,C)=2.9HZ
Hz ppm Int.647.88 7.235 137 645.00 7.202 172 643.00 7.180 209 640.06 7.147 240 622.31 6.949 179 621.00 6.934 308 619.25 6.915 182 618.25 6.904 284 616.94 6.889 300 616.06 6.879 360 614.38 6.860 160 613.06 6.846 76 247.75 2.767 86 240.31 2.684 266 237.19 2.649 38 232.75 2.599 295 225.19 2.515 115 116.94 1.306 513 109.56 1.224 1000 101.88 1.138 398
in CDCl3
liquid film
