4-(4-CHLOROBENZYL)PYRIDINE(4409-11-4) IR2
Product Name4-(4-CHLOROBENZYL)PYRIDINE
CAS4409-11-4
Molecular FormulaC12H10ClN
Molecular Weight203.67
InChIInChI=1S/C12H10ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9H2
InChIKey OHKBVLWPESSWKC-UHFFFAOYSA-N
SmilesC1=NC=CC(CC2=CC=C(Cl)C=C2)=C1
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MassMS-NW-6266 4-(p-chlorobenzyl)pyridine C12H10ClN (Mass of molecular ion: 203)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.6 26.0 1.2 27.0 1.4 28.0 2.6 38.0 1.5 39.0 6.6 50.0 5.2 51.0 11.4 52.0 1.8 54.0 2.7 57.5 1.2 61.0 1.0 62.0 2.7 63.0 7.5 64.0 2.2 65.0 3.2 69.0 1.5 69.5 2.3 70.0 3.0 70.5 2.5 73.0 2.0 74.0 2.7 75.0 5.7 76.0 2.0 77.0 1.4 78.0 2.9 83.5 9.0 84.0 1.8 86.0 1.2 87.0 1.7 88.0 1.0 89.0 8.5 90.0 3.0 91.0 1.0 99.0 3.4 101.0 1.7 106.0 1.0 111.0 6.3 113.0 3.0 114.0 2.1 115.0 5.5 125.0 21.1 126.0 2.6 127.0 7.3 128.0 1.2 138.0 1.1 139.0 22.2 140.0 5.8 141.0 9.0 142.0 1.1 149.0 1.9 166.0 6.7 167.0 46.6 168.0 100.0 169.0 13.7 175.0 1.0 201.0 1.2 202.0 8.5 203.0 76.7 204.0 13.0 205.0 25.7 206.0 3.6 217.0 7.3 218.0 1.2 219.0 2.5
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C12 H10 Cl N 0.046 g : 0.5 ml CDCl3 4-(p-chlorobenzyl)pyridine 
Assign. Shift(ppm)
A 8.500 B 7.267 C 7.09 D 7.07 E 3.926 400MHZ : HSP-41-747
Hz ppm Int.764.38 8.535 439 762.75 8.517 280 759.94 8.486 290 758.38 8.468 487 656.88 7.335 373 654.56 7.309 152 650.50 7.264 232 648.19 7.238 1000 646.19 7.216 190 640.56 7.153 146 638.75 7.133 767 636.25 7.105 606 634.63 7.087 291 631.81 7.055 337 630.25 7.038 615 627.88 7.011 62 351.56 3.926 956
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1H NMR 399.65 MHz C12 H10 Cl N 0.05 ml : 0.5 ml CDCl3 4-(p-chlorobenzyl)pyridine Assign. Shift(ppm)
A 8.487 B 7.250 C 7.08 D 7.06 E 3.894 90MHZ : HSP-02-726
Hz ppm Int.3393.19 8.491 261 3392.82 8.490 261 3391.36 8.486 259 3390.26 8.484 260 2902.10 7.262 563 2893.68 7.241 688 2832.28 7.087 634 2823.73 7.066 669 2816.53 7.048 467 1556.40 3.895 1000
in CDCl3
KBr disc
liquid film
nujol mull
