BENZAL CHLORIDE(98-87-3) MS
Product NameBENZAL CHLORIDE
CAS98-87-3
Molecular FormulaC7H6Cl2
Molecular Weight161.03
InChIInChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey CAHQGWAXKLQREW-UHFFFAOYSA-N
SmilesC1(C(Cl)Cl)=CC=CC=C1
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MassMS-NW-8488 benzylidene dichloride C7H6Cl2 (Mass of molecular ion: 160)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
36.0 1.7 37.0 1.7 38.0 3.3 39.0 7.9 43.0 1.9 44.0 2.3 44.5 2.7 49.0 1.1 50.0 4.7 51.0 5.2 61.0 2.4 62.0 7.3 62.5 2.8 63.0 13.3 64.0 2.4 65.0 2.7 73.0 2.9 74.0 1.0 75.0 1.8 77.0 1.4 86.0 1.3 87.0 1.1 89.0 19.9 90.0 5.4 91.0 8.6 99.0 5.7 101.0 1.7 125.0 100.0 126.0 9.4 127.0 32.0 128.0 3.0 160.0 8.0 161.0 1.2 162.0 5.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Cl2 0.04 ml : 0.5 ml CDCl3 benzylidene dichloride 
Assign. Shift(ppm)
A 7.56 B 7.48 to 7.28 C 6.695
Hz ppm Int.683.06 7.627 126 681.44 7.609 98 681.13 7.606 94 680.75 7.602 90 680.38 7.597 96 679.44 7.587 221 679.00 7.582 202 677.69 7.567 183 675.50 7.543 310 674.63 7.533 223 672.94 7.514 475 670.81 7.491 122 669.56 7.477 98 667.75 7.456 153 666.88 7.447 157 666.25 7.440 216 664.06 7.415 545 663.63 7.410 615 663.00 7.403 531 661.13 7.382 377 660.44 7.375 394 659.88 7.369 586 658.69 7.355 298 657.81 7.345 280 656.88 7.335 619 656.06 7.326 161 654.19 7.305 55 653.31 7.295 56 599.63 6.696 1000
in CDCl3
CCl4 solution
liquid film
