3-Decylthiophene(65016-55-9) IR1
Product Name3-Decylthiophene
CAS65016-55-9
Molecular FormulaC14H24S
Molecular Weight224.41
InChIInChI=1S/C14H24S/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13H,2-10H2,1H3
InChIKey JAYBIBLZTQMCAY-UHFFFAOYSA-N
SmilesC1SC=CC=1CCCCCCCCCC
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MassMS-IW-3601 3-decylthiophene C14H24S (Mass of molecular ion: 224)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 2.0 29.0 3.5 39.0 2.3 41.0 6.6 43.0 4.5 45.0 3.9 53.0 2.7 55.0 2.8 57.0 1.3 67.0 1.2 77.0 1.3 84.0 1.3 85.0 3.7 97.0 46.7 98.0 100.0 99.0 9.8 100.0 5.2 110.0 1.4 111.0 16.3 112.0 2.0 125.0 1.0 139.0 1.9 140.0 1.6 224.0 14.3 225.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H24 S 0.05 ml : 0.5 ml CDCl3 3-decylthiophene 
Assign. Shift(ppm)
A 7.202 B 6.915 C 6.891 D 2.607 E 1.606 F 1.32 G 1.30 J 1.28 K 1.26 L 0.879
Hz ppm Int.2882.69 7.214 193 2879.76 7.206 209 2877.81 7.201 216 2874.88 7.194 235 2766.97 6.924 201 2765.63 6.921 240 2762.08 6.912 181 2760.74 6.908 230 2757.20 6.900 107 2756.35 6.897 213 2755.00 6.894 195 2754.27 6.892 166 2753.42 6.890 206 2752.08 6.887 171 2751.22 6.885 80 1049.80 2.627 175 1042.36 2.609 244 1034.42 2.589 188 649.90 1.627 83 642.46 1.608 122 635.01 1.589 96 627.56 1.571 37 519.90 1.301 357 504.15 1.262 1000 358.40 0.897 234 351.56 0.880 729 344.60 0.863 286
in CDCl3
liquid film
