3,5-Dichlorobenzyl alcohol(60211-57-6) 13C NMR
Product Name3,5-Dichlorobenzyl alcohol
CAS60211-57-6
Molecular FormulaC7H6Cl2O
Molecular Weight177.03
InChIInChI=1S/C7H6Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChIKey VSNNLLQKDRCKCB-UHFFFAOYSA-N
SmilesC1(CO)=CC(Cl)=CC(Cl)=C1
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MassMS-NW-6539 3,5-dichlorobenzyl alcohol C7H6Cl2O (Mass of molecular ion: 176)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 3.2 27.0 2.1 28.0 3.2 29.0 9.4 30.0 1.0 31.0 9.4 36.0 2.7 37.0 4.0 38.0 5.6 39.0 3.9 43.0 2.7 44.0 1.5 49.0 2.5 50.0 12.8 51.0 15.4 52.0 9.9 52.5 1.0 53.0 1.3 55.0 1.6 56.0 2.6 57.0 1.0 60.0 1.6 61.0 4.3 62.0 5.2 63.0 6.4 70.0 2.3 70.5 1.0 71.0 1.0 72.0 1.2 73.0 6.8 74.0 14.3 75.0 26.7 76.0 3.7 77.0 100.0 78.0 9.9 84.0 3.4 85.0 4.7 86.0 2.8 87.0 2.8 87.5 2.4 88.0 1.2 88.5 1.5 89.0 3.9 97.0 1.8 99.0 1.5 105.0 1.4 109.0 6.9 110.0 3.4 111.0 53.7 112.0 10.3 113.0 60.2 114.0 6.2 115.0 15.0 116.0 1.1 123.0 9.6 124.0 2.4 125.0 3.8 133.0 1.2 139.0 11.9 140.0 6.6 141.0 79.7 142.0 8.0 143.0 24.9 144.0 2.2 145.0 5.7 146.0 3.3 147.0 19.9 148.0 3.3 149.0 11.0 150.0 1.2 151.0 1.8 159.0 9.4 160.0 1.5 161.0 6.3 163.0 1.1 173.0 4.7 174.0 2.0 175.0 12.6 176.0 72.7 177.0 12.0 178.0 46.0 179.0 4.7 180.0 7.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Cl2 O 0.039 g : 0.5 ml CDCl3 3,5-dichlorobenzyl alcohol 
Assign. Shift(ppm)
A 7.260 B 7.214 C 4.621 D 4.62
Hz ppm Int.2903.56 7.266 305 2901.37 7.260 495 2899.41 7.255 335 2893.55 7.241 21 2884.03 7.217 1000 2883.18 7.215 772 2882.08 7.212 850 1846.80 4.622 715
in CDCl3
KBr disc
nujol mull
