4-Biphenylcarboxaldehyde(3218-36-8) MS
Product Name4-Biphenylcarboxaldehyde
CAS3218-36-8
Molecular FormulaC13H10O
Molecular Weight182.22
InChIInChI=1S/C13H10O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H
InChIKey ISDBWOPVZKNQDW-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(C=O)C=C1
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MassMS-NW-2335 4-biphenylcarbaldehyde C13H10O (Mass of molecular ion: 182)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
39.0 1.6 50.0 2.6 51.0 5.1 62.0 1.3 63.0 3.7 64.0 1.8 74.0 2.4 75.0 3.1 75.5 1.6 76.0 11.6 76.5 2.6 77.0 7.8 87.0 1.0 90.5 2.2 101.0 1.2 102.0 1.9 115.0 1.3 126.0 2.8 127.0 4.1 128.0 1.0 150.0 2.5 151.0 9.4 152.0 37.5 153.0 29.3 154.0 8.7 181.0 81.5 182.0 100.0 183.0 13.7 184.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H10 O 0.045 g : 0.5 ml CDCl3 4-biphenylcarbaldehyde 
Assign. Shift(ppm)
A 10.04 B 7.92 C 7.73 D 7.71 to 7.34
Hz ppm Int.898.83 10.037 952 716.89 8.005 80 715.36 7.988 482 714.62 7.980 291 713.38 7.966 198 708.91 7.916 316 706.79 7.892 1000 705.40 7.877 238 697.12 7.784 181 696.75 7.780 202 695.65 7.768 932 693.60 7.745 257 693.24 7.741 210 688.40 7.687 262 687.89 7.681 269 687.16 7.673 462 685.69 7.657 227 684.38 7.642 217 683.50 7.632 326 681.96 7.615 127 680.71 7.601 340 679.98 7.593 517 678.44 7.576 595 678.00 7.571 630 675.37 7.541 149 674.27 7.529 202 673.32 7.519 350 672.07 7.505 174 671.19 7.495 195 670.17 7.483 648 669.43 7.475 683 668.92 7.469 368 667.68 7.456 518 667.24 7.451 350 666.14 7.438 167 665.48 7.431 301 664.38 7.419 728 663.57 7.410 198 662.33 7.396 729 661.08 7.382 145 660.28 7.373 106 659.25 7.361 70 658.59 7.354 70
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
