3-Chloropyridine(626-60-8) MS
Product Name3-Chloropyridine
CAS626-60-8
Molecular FormulaC5H4ClN
Molecular Weight113.54
InChIInChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey PWRBCZZQRRPXAB-UHFFFAOYSA-N
SmilesC1=NC=CC=C1Cl
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MassMS-NW-1483 3-chloropyridine C5H4ClN (Mass of molecular ion: 113)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.3 25.0 1.0 26.0 3.6 27.0 1.9 28.0 2.9 37.0 3.1 38.0 3.6 38.5 1.8 39.0 2.2 48.0 1.0 49.0 6.3 50.0 23.7 51.0 44.4 52.0 5.8 60.0 5.3 62.0 2.2 73.0 1.6 75.0 2.7 76.0 5.2 77.0 4.8 78.0 68.9 79.0 4.4 84.0 1.1 85.0 3.1 86.0 9.2 87.0 2.0 88.0 3.0 112.0 1.7 113.0 100.0 114.0 7.1 115.0 31.7 116.0 2.1
parameter in DMSO-d6
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1H NMR 300 MHz C5 H4 Cl N 30 % in DMSO 3-chloropyridine 
Parameter ppm Hz
D(A) 8.79 D(B) 7.99 D(C) 7.57 D(D) 8.68 J(A,B) 2.5 J(A,C) 0.8 J(A,D) 0.3 J(B,C) 8.2 J(B,D) 1.5 J(C,D) 4.8 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962) J(A,D) LESS THAN 0.3HZ.
Hz ppm Int.2638.01 8.793 983 2636.01 8.787 1000 2607.15 8.690 738 2605.70 8.686 763 2602.36 8.675 774 2600.91 8.670 772 2403.21 8.011 403 2401.69 8.006 465 2400.76 8.003 463 2399.24 7.997 399 2395.02 7.983 465 2393.50 7.978 528 2392.57 7.975 525 2391.05 7.970 444 2277.68 7.592 523 2277.03 7.590 524 2272.88 7.576 522 2272.23 7.574 525 2269.48 7.565 479 2268.83 7.563 473 2264.68 7.549 450 2264.04 7.547 446
CCl4 solution
liquid film
