Product Name3,5-Dichlorophenol
CAS591-35-5
Molecular FormulaC6H4Cl2O
Molecular Weight163
InChIInChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey VPOMSPZBQMDLTM-UHFFFAOYSA-N
SmilesC1(O)=CC(Cl)=CC(Cl)=C1
Mass
MS-NW-1278 3,5-dichlorophenol C6H4Cl2O (Mass of molecular ion: 162)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
28.0 1.4 29.0 1.0 31.0 1.6 36.0 1.1 37.0 3.8 38.0 4.3 39.0 2.9 48.0 1.3 49.0 5.0 50.0 2.7 53.0 3.3 60.0 1.6 61.0 5.2 62.0 8.3 63.0 24.6 64.0 2.5 72.0 1.1 73.0 10.4 74.0 2.5 75.0 3.4 81.0 3.7 82.0 2.3 83.0 1.0 87.0 1.2 91.0 1.6 97.0 1.8 98.0 11.7 99.0 30.9 100.0 5.5 101.0 10.2 126.0 3.8 127.0 4.1 128.0 1.7 129.0 1.4 133.0 3.3 134.0 3.0 135.0 2.3 136.0 2.0 162.0 100.0 163.0 6.7 164.0 63.7 165.0 4.4 166.0 10.6
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H4 Cl2 O | 0.052 g : 0.5 ml CDCl3 |
3,5-dichlorophenol |
Assign. Shift(ppm) |
Hz ppm Int.
624.00 6.968 192 622.31 6.949 421 620.50 6.929 285 605.00 6.756 1000 603.25 6.736 848 601.69 6.719 50 460.94 5.147 145
in CDCl3
CCl4 solution
KBr disc
nujol mull
3,5-Dichlorophenol(591-35-5) IR3 Atlas of Related Products
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