2,5-Dichlorothiophene(3172-52-9) 13C NMR
Product Name2,5-Dichlorothiophene
CAS3172-52-9
Molecular FormulaC4H2Cl2S
Molecular Weight153.03
InChIInChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKey FGYBDASKYMSNCX-UHFFFAOYSA-N
SmilesC1(Cl)SC(Cl)=CC=1
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MassMS-NW-1143 2,5-dichlorothiophene C4H2Cl2S (Mass of molecular ion: 152)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.0 35.0 1.0 36.0 1.3 37.0 6.7 38.0 4.9 41.0 1.4 44.0 3.1 45.0 10.1 47.0 3.0 49.0 1.9 50.0 1.3 56.0 1.5 57.0 9.8 58.0 3.7 59.0 1.6 60.0 1.4 68.0 1.3 69.0 10.3 71.0 1.2 72.0 2.5 73.0 36.6 74.0 1.8 75.0 11.4 76.0 3.6 77.0 2.2 79.0 16.6 80.0 1.5 81.0 9.8 82.0 6.7 83.0 1.1 84.0 1.3 91.0 1.2 92.0 10.0 94.0 3.6 107.0 2.3 109.0 1.4 116.0 2.9 117.0 26.5 118.0 2.8 119.0 9.9 152.0 100.0 153.0 5.8 154.0 67.5 155.0 3.6 156.0 12.8 186.0 1.1
parameter in CDCl3
parameter in TMS
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1H NMR 300 MHz C4 H2 Cl2 S 0.02 ml : 0.5 ml CDCl3 2,5-dichlorothiophene 
Parameter ppm Hz
D(A) 6.689
Hz ppm Int.2006.70 6.689 1000
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1H NMR 300 MHz C4 H2 Cl2 S in TMS 2,5-dichlorothiophene Parameter ppm Hz
D(A) 6.572 READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965) J(A,C-13):173.95HZ. J(A,A):3.92HZ.
Hz ppm Int.1971.60 6.572 1000
in CDCl3
liquid film
