Product Name3-Chlorophenol
CAS108-43-0
Molecular FormulaC6H5ClO
Molecular Weight128.56
InChIInChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey HORNXRXVQWOLPJ-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(Cl)=C1
Mass
MS-NW-1845 m-chlorophenol C6H5ClO (Mass of molecular ion: 128)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
17.0 1.1 18.0 5.0 26.0 2.4 27.0 2.5 28.0 2.5 29.0 3.3 31.0 3.1 32.0 3.6 36.0 1.4 37.0 9.0 38.0 15.5 39.0 30.6 40.0 1.5 42.0 1.1 46.0 3.2 47.0 1.1 49.0 3.0 50.0 7.7 51.0 3.7 53.0 8.5 55.0 1.9 60.0 2.0 61.0 7.1 62.0 10.7 63.0 25.4 64.0 26.7 65.0 63.0 66.0 4.7 72.0 1.3 73.0 9.7 74.0 4.5 75.0 4.4 89.0 2.3 92.0 6.3 93.0 6.4 99.0 8.8 100.0 16.5 101.0 3.6 102.0 5.4 128.0 100.0 129.0 6.9 130.0 32.1 131.0 2.1
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C6 H5 Cl O | 0.05 ml : 0.5 ml CDCl3 |
m-chlorophenol |
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Assign. Shift(ppm) |
Hz ppm Int.
2849.85 7.131 404 2841.80 7.111 816 2833.62 7.091 518 2765.50 6.920 373 2764.53 6.918 385 2763.55 6.915 403 2762.70 6.913 354 2760.86 6.909 34 2757.45 6.900 313 2756.59 6.898 300 2755.49 6.895 349 2754.64 6.893 297 2735.60 6.845 542 2733.40 6.840 708 2731.20 6.834 465 2684.57 6.718 388 2683.72 6.716 342 2682.13 6.712 343 2681.15 6.709 294 2676.39 6.697 340 2675.42 6.695 306 2673.83 6.691 304 2672.97 6.689 269 2506.35 6.272 1000
in CDCl3
liquid film
3-Chlorophenol(108-43-0) Raman Atlas of Related Products
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