MESO-1,2,3,4-TETRABROMOBUTANE(2657-67-2) MS
Product NameMESO-1,2,3,4-TETRABROMOBUTANE
CAS2657-67-2
Molecular FormulaC4H6Br4
Molecular Weight373.71
InChIInChI=1/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2/t3-,4+
InChIKey HGRZLIGHKHRTRE-ZXZARUISNA-N
SmilesC(Br)[C@@H](Br)[C@@H](Br)CBr |&1:2,4,r|
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MassMS-IW-3480 meso-1,2,3,4-tetrabromobutane C4H6Br4 (Mass of molecular ion: 370)
Source Temperature: 180 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 7.0 27.0 30.3 28.0 2.4 37.0 1.7 38.0 2.9 39.0 15.0 45.0 1.6 49.0 2.0 50.0 9.1 51.0 25.1 52.0 8.9 53.0 35.5 54.0 5.7 79.0 3.4 80.0 4.0 81.0 3.5 82.0 3.9 93.0 4.6 95.0 4.3 105.0 8.9 106.0 3.4 107.0 13.5 108.0 2.3 109.0 4.3 117.0 1.2 119.0 4.4 121.0 3.2 131.0 28.0 132.0 10.5 133.0 34.4 134.0 10.4 135.0 7.2 171.0 1.5 173.0 2.8 175.0 1.4 185.0 5.7 187.0 10.8 189.0 5.2 199.0 1.4 211.0 50.9 212.0 2.6 213.0 100.0 214.0 4.7 215.0 48.6 216.0 2.2 291.0 27.8 292.0 1.4 293.0 81.1 294.0 3.8 295.0 79.1 296.0 3.6 297.0 25.7 298.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H6 Br4 0.047 g : 0.5 ml CDCl3 meso-1,2,3,4-tetrabromobutane 
Assign. Shift(ppm)
A 4.589 B *1 4.126 C *1 3.963 J(A,B)=1.4HZ J(A,C)=2.5HZ J(B,C)=-11.6HZ
Hz ppm Int.416.13 4.647 64 415.00 4.634 241 413.63 4.619 445 413.06 4.613 345 412.50 4.606 496 411.13 4.591 1000 409.75 4.576 532 409.19 4.569 405 408.69 4.564 503 407.25 4.548 306 406.13 4.535 62 380.13 4.245 261 378.63 4.228 188 377.63 4.217 183 376.19 4.201 193 370.00 4.132 104 368.50 4.115 771 367.06 4.099 569 366.00 4.087 520 364.63 4.072 637 363.00 4.054 108 361.81 4.040 96 361.25 4.034 111 359.63 4.016 764 358.19 4.000 515 357.13 3.988 563 355.81 3.973 645 354.25 3.956 89 353.88 3.952 88 348.94 3.897 75 348.00 3.886 243 346.63 3.871 183 345.56 3.859 162 344.25 3.844 202
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
