2-Chlorophenol(95-57-8) MS
Product Name2-Chlorophenol
CAS95-57-8
Molecular FormulaC6H5ClO
Molecular Weight128.56
InChIInChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey ISPYQTSUDJAMAB-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1Cl
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MassMS-NW-0857 o-chlorophenol C6H5ClO (Mass of molecular ion: 128)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.2 31.0 1.3 32.0 2.6 37.0 2.9 38.0 5.3 39.0 7.7 46.0 2.6 49.0 1.1 50.0 2.2 51.0 1.0 53.0 3.6 61.0 2.5 62.0 3.7 63.0 17.3 64.0 40.7 65.0 12.8 66.0 1.2 73.0 4.5 74.0 1.5 75.0 1.7 92.0 14.1 93.0 1.7 94.0 1.0 99.0 3.6 100.0 3.5 101.0 1.3 102.0 1.2 128.0 100.0 129.0 6.8 130.0 31.4 131.0 2.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H5 Cl O 0.04 ml : 0.5 ml CDCl3 o-chlorophenol 
Assign. Shift(ppm)
A 7.287 B 7.159 C 7.010 D 6.853 E 5.61
Hz ppm Int.658.56 7.354 367 658.13 7.349 404 656.94 7.336 512 656.44 7.330 512 650.81 7.267 554 650.38 7.262 552 649.19 7.249 876 648.69 7.244 806 647.31 7.228 208 643.88 7.190 377 642.56 7.175 516 640.94 7.157 571 635.75 7.099 964 634.06 7.080 768 632.75 7.066 107 631.69 7.054 556 631.19 7.048 680 629.56 7.030 1000 629.06 7.024 930 623.50 6.962 354 623.06 6.957 364 621.44 6.939 218 620.63 6.930 847 618.50 6.906 527 613.75 6.853 458 612.88 6.844 540 611.69 6.830 410 610.75 6.820 413 606.00 6.767 356 603.88 6.743 291 502.19 5.608 695
in CDCl3
liquid film
4880 A,200 M,liquid
