Product Name2,3-Dichlorophenol
CAS576-24-9
Molecular FormulaC6H4Cl2O
Molecular Weight163
InChIInChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChIKey UMPSXRYVXUPCOS-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(Cl)=C1Cl
Mass
MS-NW-1366 2,3-dichlorophenol C6H4Cl2O (Mass of molecular ion: 162)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
28.0 1.3 29.0 1.1 31.0 1.8 36.0 1.5 37.0 5.7 38.0 4.3 39.0 3.7 48.0 2.4 49.0 6.9 50.0 3.0 53.0 2.8 60.0 1.1 61.0 4.9 62.0 8.2 63.0 43.6 64.0 4.2 65.0 1.1 66.0 1.1 72.0 4.5 73.0 8.9 74.0 2.6 75.0 2.9 81.0 3.4 82.0 2.1 83.0 1.0 84.0 1.2 87.0 2.1 91.0 2.9 97.0 2.7 98.0 20.9 99.0 11.7 100.0 7.1 101.0 3.7 107.0 1.6 109.0 1.2 126.0 48.4 127.0 3.6 128.0 15.8 129.0 1.1 133.0 3.2 135.0 2.0 162.0 100.0 163.0 6.8 164.0 62.4 165.0 4.2 166.0 10.4
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H4 Cl2 O | 0.047 g : 0.5 ml CDCl3 |
2,3-dichlorophenol |
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Assign. Shift(ppm) |
Hz ppm Int.
645.81 7.211 79 639.00 7.135 81 638.00 7.124 302 636.38 7.106 32 634.06 7.080 37 632.88 7.067 404 631.13 7.048 920 629.81 7.033 1000 627.38 7.006 42 626.56 6.996 46 625.00 6.979 403 624.38 6.972 763 621.31 6.938 291 617.56 6.896 249 614.50 6.862 199 509.88 5.694 340
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,150M,powder
2,3-Dichlorophenol(576-24-9) IR1 Atlas of Related Products
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