Tetrahydrothiophene(110-01-0) Raman
Product NameTetrahydrothiophene
CAS110-01-0
Molecular FormulaC4H8S
Molecular Weight88.17
InChIInChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2
InChIKey RAOIDOHSFRTOEL-UHFFFAOYSA-N
SmilesC1SCCC1
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MassMS-KW-0261 tetrahydrothiophene C4H8S (Mass of molecular ion: 88)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.8 27.0 8.6 27.5 1.4 28.0 1.8 29.0 1.9 38.0 1.2 39.0 8.5 40.0 1.3 41.0 8.5 42.0 3.4 43.0 1.6 45.0 25.5 46.0 25.3 47.0 22.4 48.0 1.7 49.0 1.2 50.0 1.0 51.0 1.1 53.0 5.0 54.0 15.2 55.0 13.5 57.0 1.7 58.0 5.5 59.0 16.3 60.0 100.0 61.0 4.2 62.0 4.5 73.0 4.3 85.0 3.3 87.0 18.4 88.0 60.0 89.0 4.2 90.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 S 0.05 ml : 0.5 ml CDCl3 tetrahydrothiophene 
Assign. Shift(ppm)
A 2.823 B 1.936
Hz ppm Int.1138.55 2.849 91 1135.86 2.843 171 1134.77 2.840 446 1134.03 2.838 287 1132.32 2.834 310 1130.74 2.830 367 1128.17 2.823 955 1127.32 2.821 445 1125.98 2.818 383 1125.00 2.815 247 1124.15 2.813 296 1122.56 2.809 298 1121.70 2.807 467 1118.53 2.799 101 786.38 1.968 69 785.16 1.965 58 784.06 1.962 76 781.37 1.956 187 780.27 1.953 451 777.34 1.946 364 776.61 1.944 422 773.68 1.936 1000 770.87 1.929 402 770.14 1.928 361 767.21 1.920 418 763.92 1.912 74 762.08 1.907 56 761.23 1.905 65
in CDCl3
