2-Chloro-6-fluorobenzyl alcohol(56456-50-9) MS
Product Name2-Chloro-6-fluorobenzyl alcohol
CAS56456-50-9
Molecular FormulaC7H6ClFO
Molecular Weight160.57
InChIInChI=1S/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChIKey ZZFCUESFXBCRSC-UHFFFAOYSA-N
SmilesC1(CO)=C(F)C=CC=C1Cl
-
MassMS-NW-7269 2-chloro-6-fluorobenzyl alcohol C7H6ClFO (Mass of molecular ion: 160)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.5 26.0 1.5 27.0 3.2 28.0 6.7 29.0 15.7 30.0 2.8 31.0 17.7 32.0 1.2 36.0 2.1 37.0 6.3 38.0 8.0 39.0 7.7 43.0 2.0 44.0 2.0 45.0 1.4 47.0 2.1 48.0 2.2 49.0 4.0 50.0 20.5 51.0 19.9 52.0 9.1 53.0 1.6 53.5 1.5 56.0 3.1 57.0 10.7 60.0 1.2 61.0 6.9 62.0 12.4 62.5 1.2 63.0 7.8 67.0 1.0 68.0 8.6 69.0 7.2 70.0 5.7 71.0 1.4 71.5 1.5 72.0 1.0 73.0 4.8 74.0 13.5 75.0 46.3 76.0 6.8 77.0 34.0 78.0 2.5 79.5 5.9 80.0 2.3 80.5 1.9 81.0 6.4 82.0 1.4 83.0 2.8 84.0 1.9 85.0 2.8 86.0 2.0 87.0 1.5 91.0 1.6 92.0 2.0 93.0 7.1 94.0 11.2 95.0 65.6 96.0 15.2 97.0 100.0 98.0 6.9 103.0 1.0 104.0 1.0 105.0 5.4 107.0 18.7 108.0 5.9 109.0 3.6 110.0 1.1 111.0 17.1 112.0 4.9 113.0 6.3 114.0 1.8 117.0 3.9 119.0 1.3 123.0 33.7 124.0 22.4 125.0 95.0 126.0 7.5 129.0 6.4 130.0 5.1 131.0 10.1 132.0 2.3 133.0 2.9 139.0 23.7 140.0 3.0 141.0 8.7 142.0 2.3 143.0 26.8 144.0 2.6 145.0 8.7 157.0 6.6 159.0 33.9 160.0 66.9 161.0 15.5 162.0 21.5 163.0 1.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H6 Cl F O 0.038 g : 0.5 ml CDCl3 2-chloro-6-fluorobenzyl alcohol 
Assign. Shift(ppm)
A 7.24 B 7.21 C 7.010 D 4.840 E 2.23
Hz ppm Int.2903.93 7.267 173 2902.10 7.262 153 2896.36 7.248 129 2894.04 7.242 459 2888.31 7.228 409 2885.99 7.222 460 2880.98 7.209 1000 2879.52 7.206 949 2875.85 7.196 31 2873.29 7.190 228 2871.46 7.185 163 2810.42 7.033 281 2808.96 7.029 270 2805.30 7.020 31 2802.49 7.013 276 2801.27 7.010 460 2799.07 7.004 260 2793.95 6.991 206 2791.75 6.986 210 1936.04 4.845 560 1932.50 4.836 561 893.07 2.235 296
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
