2,3,5-TRIBROMO-4-METHYLTHIOPHENE(67869-13-0) 13C NMR
Product Name2,3,5-TRIBROMO-4-METHYLTHIOPHENE
CAS67869-13-0
Molecular FormulaC5H3Br3S
Molecular Weight334.85
InChIInChI=1S/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3
InChIKey DTLNXOZXOZCNMX-UHFFFAOYSA-N
SmilesC1(Br)SC(Br)=C(C)C=1Br
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MassMS-IW-9283 2,3,5-tribromo-4-methylthiophene C5H3Br3S (Mass of molecular ion: 332)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.1 27.0 1.7 32.0 1.9 36.0 2.6 37.0 6.2 38.0 5.6 39.0 5.4 44.0 5.0 45.0 13.9 46.5 1.2 47.0 9.3 47.5 1.1 48.0 1.9 49.0 8.1 50.0 23.1 51.0 21.6 52.0 1.0 56.0 2.1 57.0 1.8 59.0 1.1 60.0 1.5 61.0 4.4 62.0 3.0 63.0 1.4 68.0 4.8 69.0 21.5 70.0 3.2 71.0 2.0 79.0 2.6 80.0 9.3 81.0 4.9 82.0 3.5 86.0 2.6 86.5 5.6 87.0 10.7 87.5 5.9 88.0 8.6 91.0 1.4 92.0 4.0 93.0 18.1 94.0 11.8 95.0 35.9 96.0 3.3 97.0 1.7 115.0 1.1 117.0 2.1 119.0 1.2 123.0 6.5 125.0 6.7 126.0 1.4 126.5 10.0 127.0 3.8 127.5 19.3 128.0 4.0 128.5 10.0 129.0 6.3 130.0 4.2 131.0 5.2 132.0 2.6 135.0 2.6 137.0 2.8 147.0 2.0 149.0 2.5 159.0 4.6 161.0 4.7 166.0 1.2 167.0 3.6 168.0 3.6 169.0 1.3 173.0 10.2 174.0 59.3 175.0 14.1 176.0 60.0 177.0 4.8 178.0 2.7 209.0 2.5 211.0 4.7 213.0 2.4 252.0 2.0 253.0 51.5 254.0 7.8 255.0 100.0 256.0 9.3 257.0 52.0 258.0 3.8 259.0 2.2 331.0 2.2 332.0 25.9 333.0 8.0 334.0 75.1 335.0 10.8 336.0 74.5 337.0 6.7 338.0 26.0 339.0 1.7 340.0 1.0
parameter in CDCl3
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1H NMR 300 MHz C5 H3 Br3 S 0.035 g : 0.5 ml CDCl3 2,3,5-tribromo-4-methylthiophene 
Parameter ppm Hz
D(A) 2.232
Hz ppm Int.669.60 2.232 1000
in CDCl3
KBr disc
nujol mull
