1,7-DIBROMOHEPTANE(4549-31-9) Raman
Product Name1,7-DIBROMOHEPTANE
CAS4549-31-9
Molecular FormulaC7H14Br2
Molecular Weight257.99
InChIInChI=1S/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2
InChIKey LVWSZGCVEZRFBT-UHFFFAOYSA-N
SmilesC(Br)CCCCCCBr
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MassMS-IW-3484 1,7-dibromoheptane C7H14Br2 (Mass of molecular ion: 256)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 14.2 28.0 2.7 29.0 9.6 39.0 11.7 40.0 2.1 41.0 35.5 42.0 7.1 43.0 19.8 48.0 1.0 49.0 1.5 53.0 3.9 54.0 2.3 55.0 83.5 56.0 5.3 57.0 19.2 67.0 3.9 68.0 3.2 69.0 20.8 70.0 2.1 71.0 1.7 81.0 1.9 93.0 1.5 95.0 1.5 97.0 100.0 98.0 8.2 107.0 6.1 109.0 5.8 121.0 3.3 123.0 3.0 134.0 1.1 135.0 15.9 136.0 1.7 137.0 15.2 148.0 1.2 150.0 1.2 177.0 8.2 178.0 1.0 179.0 7.7
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 Br2 0.04 ml : 0.5 ml CDCl3 1,7-dibromoheptane 
Assign. Shift(ppm)
A 3.401 B 1.87 C 1.69 to 1.12
Hz ppm Int.311.88 3.483 389 305.25 3.409 1000 298.50 3.333 588 173.25 1.935 99 172.94 1.931 100 171.81 1.919 78 171.50 1.915 79 171.38 1.914 79 167.31 1.869 161 166.69 1.862 161 160.69 1.795 149 160.44 1.792 149 156.63 1.749 54 155.50 1.737 52 154.00 1.720 63 152.94 1.708 46 143.38 1.601 38 136.31 1.522 113 132.50 1.480 150 131.00 1.463 134 126.94 1.418 287 125.94 1.407 298 124.88 1.395 282 123.63 1.381 275 121.69 1.359 282 115.06 1.285 30 114.50 1.279 31
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1H NMR 399.65 MHz C7 H14 Br2 0.05 ml : 0.5 ml CDCl3 1,7-dibromoheptane Assign. Shift(ppm)
A 3.410 B 1.860 C 1.451 D 1.352 90MHZ:HSP-03-244
Hz ppm Int.1369.63 3.428 619 1362.92 3.411 1000 1355.96 3.393 613 758.06 1.897 113 751.22 1.880 289 744.26 1.863 308 736.45 1.843 319 729.61 1.826 141 596.31 1.493 74 595.58 1.491 69 588.75 1.474 183 587.16 1.470 130 583.01 1.459 145 581.42 1.455 275 580.69 1.453 265 577.51 1.446 112 575.07 1.439 150 573.36 1.435 243 566.41 1.418 146 563.72 1.411 37 552.61 1.383 62 551.39 1.380 99 547.73 1.371 90 544.43 1.363 131 541.99 1.357 64 537.23 1.345 132 532.71 1.333 57 531.01 1.329 55 530.15 1.327 52 528.69 1.323 71
in CDCl3
liquid film
