CINNAMOYL CHLORIDE(17082-09-6) IR1
Product NameCINNAMOYL CHLORIDE
CAS17082-09-6
Molecular FormulaC9H7ClO
Molecular Weight166.6
InChIInChI=1S/C9H7ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKey WOGITNXCNOTRLK-VOTSOKGWSA-N
SmilesC(Cl)(=O)/C=C/C1=CC=CC=C1
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MassMS-IW-3460 trans-cinnamoyl chloride C9H7ClO (Mass of molecular ion: 166)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
38.0 1.3 39.0 2.0 50.0 7.1 51.0 20.2 51.5 4.9 52.0 2.5 62.0 1.9 63.0 3.4 65.5 4.1 69.0 1.3 74.0 4.0 75.0 3.9 76.0 4.7 77.0 25.2 78.0 1.9 101.0 2.0 102.0 9.9 103.0 47.9 104.0 4.3 131.0 100.0 132.0 10.0 138.0 3.0 140.0 1.0 165.0 1.6 166.0 10.0 167.0 1.5 168.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H7 Cl O 0.043 g : 0.5 ml CDCl3 trans-cinnamoyl chloride 
Assign. Shift(ppm)
A 7.82 B 7.78 to 7.24 C 6.64
Hz ppm Int.709.00 7.917 371 694.94 7.760 46 693.44 7.743 505 688.13 7.684 46 687.75 7.680 51 686.94 7.671 74 685.94 7.660 71 684.94 7.648 77 683.69 7.634 117 682.81 7.625 163 681.00 7.604 244 679.63 7.589 138 678.75 7.579 170 677.31 7.563 290 676.44 7.553 300 673.13 7.516 576 672.00 7.504 422 671.19 7.495 520 670.00 7.482 303 669.06 7.471 887 668.63 7.466 901 667.44 7.453 473 666.25 7.440 620 665.00 7.426 288 663.13 7.405 282 661.38 7.385 272 660.44 7.375 101 658.31 7.351 100 657.44 7.341 62 601.31 6.715 1000 585.75 6.541 765
in CDCl3
KBr disc
nujol mull
