3,4-Dichlorobenzyl alcohol(1805-32-9) MS
Product Name3,4-Dichlorobenzyl alcohol
CAS1805-32-9
Molecular FormulaC7H6Cl2O
Molecular Weight177.03
InChIInChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey FVJIUQSKXOYFKG-UHFFFAOYSA-N
SmilesC1(CO)=CC=C(Cl)C(Cl)=C1
-
MassMS-NW-7525 3,4-dichlorobenzyl alcohol C7H6Cl2O (Mass of molecular ion: 176)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.2 29.0 8.0 31.0 8.0 36.0 2.0 37.0 4.0 38.0 5.8 39.0 4.6 43.0 2.9 44.0 1.6 49.0 2.8 50.0 13.2 51.0 16.4 52.0 12.7 52.5 1.5 53.0 1.4 55.0 2.2 56.0 3.5 57.0 1.1 60.0 1.6 61.0 5.1 61.5 1.2 62.0 5.5 63.0 6.4 70.0 3.9 70.5 1.3 71.0 1.5 72.0 1.9 73.0 8.2 74.0 14.5 75.0 27.8 76.0 4.3 77.0 100.0 78.0 9.6 84.0 4.9 85.0 5.7 86.0 3.4 87.0 3.7 87.5 3.0 88.0 1.4 88.5 2.0 89.0 4.7 97.0 2.2 99.0 1.8 105.0 2.0 108.0 1.0 109.0 8.3 110.0 3.4 111.0 63.3 112.0 12.2 113.0 58.0 114.0 6.7 115.0 12.9 116.0 1.1 123.0 10.3 124.0 2.8 125.0 3.8 126.0 1.0 133.0 1.6 135.0 1.1 139.0 12.1 140.0 5.3 141.0 96.7 142.0 9.1 143.0 31.1 144.0 2.8 145.0 6.7 146.0 3.0 147.0 23.7 148.0 3.4 149.0 13.9 150.0 1.3 151.0 2.3 159.0 13.4 160.0 1.7 161.0 8.7 163.0 1.7 173.0 4.0 175.0 15.2 176.0 66.0 177.0 13.9 178.0 43.6 179.0 5.0 180.0 7.5
90 MHz in CDCl3
-
1H NMR 89.56 MHz C7 H6 Cl2 O 0.039 g : 0.5 ml CDCl3 3,4-dichlorobenzyl alcohol 
Assign. Shift(ppm)
A 7.42 B 7.39 C 7.147 D 4.608 E 2.35 J(A,C)=1.9HZ J(B,C)=8.3HZ J(C,D)=0.6HZ
Hz ppm Int.666.63 7.444 522 665.88 7.436 444 665.50 7.431 445 664.69 7.422 358 663.88 7.413 448 663.50 7.409 474 658.63 7.355 763 654.69 7.311 51 652.69 7.288 33 651.94 7.280 33 651.81 7.278 33 651.38 7.274 33 650.31 7.262 31 649.50 7.253 30 649.13 7.248 30 644.50 7.197 239 643.88 7.190 405 643.25 7.183 252 642.56 7.175 233 641.94 7.168 345 641.25 7.161 198 638.94 7.135 39 638.38 7.128 36 636.25 7.105 125 635.63 7.098 208 635.00 7.091 135 634.31 7.083 125 633.69 7.076 185 633.06 7.069 108 412.75 4.609 1000 405.06 4.523 41 402.81 4.498 32 210.63 2.352 153
in CDCl3
KBr disc
nujol mull
