EXO-2-BROMONORBORNANE(2534-77-2) IR1
Product NameEXO-2-BROMONORBORNANE
CAS2534-77-2
Molecular FormulaC7H11Br
Molecular Weight175.07
InChIInChI=1/C7H11Br/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7+/s3
InChIKey QXYOAWHKJRWNID-QXWMLGDLNA-N
Smiles[C@]12([H])C[C@]([H])(CC1)C[C@H]2Br |&1:0,3,8,r|
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MassMS-NW-6435 exo-2-bromonorbornane C7H11Br (Mass of molecular ion: 174)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 6.1 29.0 1.6 38.0 1.3 39.0 11.6 40.0 2.6 41.0 11.8 51.0 2.1 52.0 1.1 53.0 5.0 54.0 4.2 55.0 6.1 65.0 3.9 66.0 9.1 67.0 31.1 68.0 7.0 77.0 2.9 79.0 6.0 80.0 1.2 91.0 1.3 93.0 3.2 94.0 1.9 95.0 100.0 96.0 8.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H11 Br 0.05 ml : 0.5 ml CDCl3 exo-2-bromonorbornane 
Assign. Shift(ppm)
A 3.986 B 2.514 C 2.313 D 2.05 E *1 1.855 F *2 1.637 G *3 1.480 J *1 1.288 K *2 1.179 L *3 1.088 ASSIGNED BY C-H COSY
Hz ppm Int.1599.12 4.002 421 1597.53 3.998 449 1595.58 3.993 435 1593.87 3.989 458 1592.41 3.985 477 1590.45 3.980 454 1588.75 3.976 436 1587.04 3.972 403 1007.08 2.520 681 1002.32 2.508 672 924.44 2.314 662 837.77 2.097 141 835.08 2.090 130 826.90 2.070 363 823.36 2.061 666 820.43 2.053 1000 818.60 2.049 882 812.74 2.034 519 811.77 2.032 551 804.08 2.012 124 798.58 1.999 116 797.00 1.995 135 750.49 1.878 171 748.54 1.873 391 746.70 1.869 565 745.00 1.865 402 742.92 1.859 186 740.48 1.853 198 738.40 1.848 427 736.69 1.844 609 734.99 1.840 429 732.91 1.834 177 674.19 1.687 148 669.80 1.676 230 665.16 1.665 161 661.74 1.656 345 657.23 1.645 508 652.95 1.634 338 649.29 1.625 248 645.02 1.614 329 640.63 1.603 237 634.64 1.588 206 608.64 1.523 126 604.74 1.514 239 602.05 1.507 231 600.71 1.504 158 597.41 1.495 255 592.77 1.484 384 590.21 1.477 379 585.94 1.467 228 582.15 1.457 130 580.81 1.454 195 578.00 1.447 192 576.78 1.444 132 523.07 1.309 222 521.48 1.305 560 519.78 1.301 756 518.07 1.297 530 516.48 1.293 215 513.06 1.284 205 511.47 1.280 514 509.77 1.276 697 508.06 1.272 487 506.47 1.268 189 486.08 1.217 193 483.76 1.211 202 481.69 1.206 180 479.37 1.200 182 476.93 1.194 269 474.61 1.188 300 472.78 1.183 379 470.58 1.178 365 466.80 1.169 143 464.23 1.162 250 461.91 1.156 262 460.08 1.152 297 457.89 1.146 272 446.41 1.118 304 444.09 1.112 342 442.75 1.108 312 440.43 1.103 274 437.38 1.095 184 434.94 1.089 389 432.98 1.084 351 431.15 1.079 379 428.71 1.073 229 425.90 1.066 168 423.58 1.060 170 421.88 1.056 171 419.56 1.050 152
in CDCl3
liquid film
4880 A,200 M,liquid
