2,3,5-Tribromothiophene(3141-24-0) MS
Product Name2,3,5-Tribromothiophene
CAS3141-24-0
Molecular FormulaC4HBr3S
Molecular Weight320.83
InChIInChI=1S/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H
InChIKey SKDNDSLDRLEELJ-UHFFFAOYSA-N
SmilesC1(Br)SC(Br)=CC=1Br
-
MassMS-KW-0252 2,3,5-tribromothiophene C4HBr3S (Mass of molecular ion: 318)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
25.0 1.1 28.0 1.5 32.0 2.4 36.0 4.7 37.0 25.8 38.0 1.5 44.0 8.0 45.0 12.1 48.0 1.6 49.0 5.5 56.0 3.4 57.0 4.6 68.0 3.4 69.0 6.1 79.0 4.0 79.5 1.7 80.0 29.0 80.5 2.6 81.0 65.1 82.0 7.9 83.0 2.3 91.0 3.0 93.0 2.9 115.0 2.0 116.0 6.8 117.0 3.1 118.0 6.7 119.0 3.0 119.5 3.5 120.0 4.0 120.5 7.0 121.0 2.6 121.5 3.5 123.0 5.6 125.0 5.7 128.0 1.2 130.0 1.2 135.0 3.9 137.0 4.0 159.0 6.6 160.0 61.9 161.0 17.1 162.0 57.3 163.0 4.7 164.0 2.5 195.0 7.2 197.0 14.1 199.0 6.9 239.0 30.6 240.0 5.7 241.0 61.5 242.0 9.8 243.0 32.1 244.0 4.8 245.0 1.5 318.0 34.6 319.0 2.5 320.0 100.0 321.0 5.8 322.0 99.1 323.0 5.3 324.0 34.9 325.0 1.7 326.0 1.3
parameter in CDCl3
parameter in cyclohexane
-
1H NMR 300 MHz C4 H Br3 S 0.04 ml : 0.5 ml CDCl3 2,3,5-tribromothiophene 
Parameter ppm Hz
D(A) 6.888
Hz ppm Int.2066.40 6.888 1000
-
1H NMR 300 MHz C4 H Br3 S 3.2 mol% in cyclohexane 2,3,5-tribromothiophene Parameter ppm Hz
D(A) 6.76 TAKAHASHI,K. ET AL. BULL CHEM.SOC.JPN. 38, 1041 (1961) J(C-13,A):181HZ.
Hz ppm Int.2028.00 6.760 1000
in CDCl3
liquid film
