4-Chlorophenol(106-48-9) 1H NMR
Product Name4-Chlorophenol
CAS106-48-9
Molecular FormulaC6H5ClO
Molecular Weight128.56
InChIInChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey WXNZTHHGJRFXKQ-UHFFFAOYSA-N
SmilesC1(O)=CC=C(Cl)C=C1
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MassMS-NW-1848 p-chlorophenol C6H5ClO (Mass of molecular ion: 128)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.6 27.0 1.6 28.0 1.6 29.0 1.9 31.0 1.8 32.0 2.4 36.0 1.0 37.0 6.1 38.0 9.0 39.0 19.0 46.0 2.7 47.0 1.1 49.0 2.3 50.0 6.1 51.0 2.9 53.0 5.6 55.0 1.5 60.0 1.4 61.0 5.4 62.0 8.0 63.0 16.9 64.0 16.5 65.0 48.9 66.0 3.3 72.0 1.6 73.0 9.4 74.0 3.7 75.0 3.7 89.0 1.3 92.0 3.4 93.0 4.9 99.0 7.9 100.0 14.4 101.0 3.4 102.0 4.9 127.0 1.1 128.0 100.0 129.0 6.9 130.0 32.2 131.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H5 Cl O 0.046 g : 0.5 ml CDCl3 p-chlorophenol 
Assign. Shift(ppm)
A 7.172 B 6.755 C 5.23
Hz ppm Int.651.00 7.269 49 647.75 7.233 619 645.38 7.207 219 643.38 7.184 24 641.06 7.158 245 638.69 7.132 954 635.50 7.096 115 611.94 6.833 107 608.69 6.797 1000 606.31 6.770 272 603.44 6.738 23 602.00 6.722 211 599.69 6.696 643 596.44 6.660 57 468.06 5.227 909
in CDCl3
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
OXIDATION WITH CERIC SULPHATE IN H2SO4
