1-BROMO-2,3,5,6-TETRAMETHYLBENZENE(1646-53-3) MS
Product Name1-BROMO-2,3,5,6-TETRAMETHYLBENZENE
CAS1646-53-3
Molecular FormulaC10H13Br
Molecular Weight213.11
InChIInChI=1S/C10H13Br/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3
InChIKey WJKBPTLQJXKEHC-UHFFFAOYSA-N
SmilesC1(C)=CC(C)=C(C)C(Br)=C1C
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MassMS-NW-7116 bromodurene C10H13Br (Mass of molecular ion: 212)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 4.7 38.0 1.3 39.0 11.0 40.0 1.6 41.0 8.3 50.0 2.4 51.0 9.0 52.0 2.7 53.0 4.2 55.0 2.1 57.5 1.3 58.0 1.0 62.0 1.7 63.0 5.4 64.0 8.2 64.5 1.8 65.0 9.0 66.0 2.5 74.0 1.3 75.0 1.5 76.0 1.0 77.0 7.0 78.0 2.4 79.0 3.0 89.0 1.8 91.0 15.1 92.0 2.0 93.0 2.6 102.0 1.3 103.0 3.0 104.0 1.2 105.0 10.6 106.0 1.8 115.0 12.1 116.0 5.4 117.0 15.6 118.0 7.3 119.0 1.5 128.0 1.7 129.0 1.5 131.0 4.4 132.0 2.7 133.0 100.0 134.0 11.3 197.0 9.7 198.0 1.1 199.0 9.5 200.0 1.1 211.0 3.4 212.0 48.0 213.0 8.5 214.0 46.4 215.0 5.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H13 Br 0.046 g : 0.5 ml CDCl3 bromodurene 
Assign. Shift(ppm)
A 6.866 B *1 2.343 C *1 2.258
Hz ppm Int.615.06 6.868 128 209.94 2.345 1000 202.25 2.259 952
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
