2,4-Dichlorobenzyl alcohol(1777-82-8) IR2
Product Name2,4-Dichlorobenzyl alcohol
CAS1777-82-8
Molecular FormulaC7H6Cl2O
Molecular Weight177.03
InChIInChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKey DBHODFSFBXJZNY-UHFFFAOYSA-N
SmilesC1(CO)=CC=C(Cl)C=C1Cl
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MassMS-NW-6530 2,4-dichlorobenzyl alcohol C7H6Cl2O (Mass of molecular ion: 176)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.7 27.0 2.0 28.0 4.2 29.0 7.3 31.0 6.9 36.0 3.5 37.0 4.1 38.0 6.1 39.0 3.9 43.0 2.6 44.0 1.7 49.0 2.7 50.0 13.2 51.0 16.3 52.0 12.8 52.5 1.2 53.0 1.2 55.0 1.6 56.0 2.9 57.0 1.0 60.0 1.4 61.0 4.6 61.5 1.0 62.0 5.3 63.0 5.9 70.0 3.1 70.5 1.2 71.0 1.1 72.0 1.4 73.0 6.9 74.0 13.2 75.0 28.7 76.0 5.3 77.0 87.8 78.0 8.8 84.0 3.4 85.0 5.3 86.0 2.7 87.0 2.9 87.5 2.2 88.0 1.0 88.5 1.3 89.0 4.6 97.0 1.7 99.0 1.7 105.0 2.3 109.0 6.0 110.0 3.3 111.0 54.8 112.0 9.8 113.0 51.5 114.0 5.5 115.0 12.1 123.0 8.3 124.0 2.6 125.0 3.4 133.0 1.2 139.0 19.1 140.0 14.7 141.0 100.0 142.0 12.4 143.0 30.1 144.0 2.7 145.0 5.0 146.0 2.8 147.0 16.3 148.0 2.6 149.0 9.3 150.0 1.0 151.0 1.5 159.0 16.8 160.0 2.0 161.0 11.0 162.0 1.2 163.0 1.9 173.0 5.3 174.0 1.7 175.0 21.1 176.0 60.6 177.0 16.4 178.0 39.8 179.0 5.0 180.0 6.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Cl2 O 0.042 g : 0.5 ml CDCl3 2,4-dichlorobenzyl alcohol 
Assign. Shift(ppm)
A 7.38 B 7.36 C 7.25 D 4.709 E 2.31 J(A,C)=8.1HZ. J(B,C)=2.1HZ.
Hz ppm Int.668.06 7.460 114 667.63 7.455 119 659.38 7.363 590 657.69 7.344 469 654.38 7.307 52 652.44 7.285 357 650.31 7.262 237 647.94 7.235 37 647.50 7.230 32 647.06 7.225 32 644.38 7.195 108 642.31 7.172 95 421.75 4.710 1000 416.44 4.650 32 206.50 2.306 507
in CDCl3
KBr disc
nujol mull
