2-Iodobiphenyl(2113-51-1) MS
Product Name2-Iodobiphenyl
CAS2113-51-1
Molecular FormulaC12H9I
Molecular Weight280.1
InChIInChI=1S/C12H9I/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey QFUYDAGNUJWBSM-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=CC=C1I
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MassMS-NW-5428 2-iodobiphenyl C12H9I (Mass of molecular ion: 280)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
39.0 2.9 50.0 4.1 51.0 5.6 52.0 1.1 61.0 1.1 62.0 2.4 63.0 5.4 74.0 4.3 75.0 5.1 75.5 2.2 76.0 12.1 76.5 4.2 77.0 4.8 86.0 1.5 87.0 2.0 98.0 1.5 99.0 1.3 101.0 1.6 102.0 1.8 126.0 5.7 127.0 4.8 140.0 3.5 150.0 4.3 151.0 14.9 152.0 57.9 153.0 53.5 154.0 7.3 280.0 100.0 281.0 13.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H9 I 0.04 ml : 0.5 ml CDCl3 2-iodobiphenyl 
Assign. Shift(ppm)
A 7.934 B 7.55 to 7.18 C 7.003 J(A,C)=7.8HZ.
Hz ppm Int.715.63 7.991 133 715.13 7.985 138 714.44 7.978 164 713.88 7.971 145 707.81 7.904 151 707.19 7.897 159 706.69 7.891 194 706.06 7.884 165 670.44 7.486 42 668.44 7.464 72 667.25 7.451 75 665.88 7.436 62 664.25 7.417 69 662.50 7.398 191 661.81 7.390 263 660.81 7.379 403 659.69 7.366 1000 659.06 7.359 720 658.19 7.350 673 656.94 7.336 287 655.88 7.324 316 655.44 7.319 288 654.56 7.309 381 653.44 7.297 407 653.13 7.293 412 652.50 7.286 336 650.94 7.269 62 650.31 7.262 51 649.88 7.257 72 649.06 7.248 55 648.31 7.239 83 647.81 7.234 85 646.31 7.217 30 645.50 7.208 38 644.81 7.200 111 634.69 7.087 186 631.88 7.056 129 628.38 7.017 123 626.88 7.000 154 625.56 6.985 108 623.94 6.967 108 620.69 6.931 111 617.75 6.898 92
in CDCl3
liquid film
