2-Chlorobenzyl alcohol(17849-38-6) Raman
Product Name2-Chlorobenzyl alcohol
CAS17849-38-6
Molecular FormulaC7H7ClO
Molecular Weight142.58
InChIInChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey MBYQPPXEXWRMQC-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC=C1Cl
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MassMS-NW-7146 o-chlorobenzyl alcohol C7H7ClO (Mass of molecular ion: 142)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.2 26.0 1.3 27.0 5.0 28.0 2.5 29.0 6.3 31.0 5.4 36.0 1.9 37.0 3.3 38.0 5.5 39.0 10.7 43.0 1.7 44.0 1.2 49.0 2.4 50.0 17.9 51.0 29.0 52.0 6.1 53.0 8.0 61.0 2.8 62.0 4.7 63.0 8.8 64.0 1.4 70.5 2.4 73.0 3.4 74.0 6.6 75.0 12.4 76.0 5.4 77.0 100.0 78.0 12.4 79.0 86.7 80.0 5.9 84.0 1.2 85.0 2.3 86.0 1.6 87.0 1.4 89.0 11.0 90.0 2.4 91.0 1.1 99.0 2.5 105.0 17.7 106.0 9.0 107.0 71.8 108.0 5.8 111.0 5.4 112.0 2.6 113.0 14.6 114.0 1.8 115.0 4.4 124.0 1.1 125.0 10.6 126.0 1.5 127.0 3.5 139.0 3.1 141.0 11.4 142.0 43.3 143.0 6.7 144.0 14.0 145.0 1.2
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H7 Cl O 0.050 g : 0.5 ml CDCl3 o-chlorobenzyl alcohol 
Assign. Shift(ppm)
A 7.449 B 7.338 C *1 7.26 D *1 7.22 E 4.738 F 2.51 J(E,F)=5.7HZ.
Hz ppm Int.2981.93 7.462 409 2981.57 7.461 420 2980.47 7.458 354 2979.86 7.457 522 2975.46 7.446 229 2974.73 7.444 485 2974.12 7.442 518 2973.39 7.440 424 2972.66 7.439 490 2941.16 7.360 46 2937.74 7.351 546 2936.28 7.348 484 2933.59 7.341 58 2930.18 7.332 880 2928.59 7.328 780 2919.19 7.305 30 2918.95 7.304 30 2918.09 7.302 32 2913.09 7.290 44 2911.38 7.285 46 2909.30 7.280 259 2907.71 7.276 312 2905.76 7.271 69 2901.86 7.262 729 2900.27 7.258 689 2894.65 7.243 673 2892.82 7.239 729 2890.14 7.232 597 2887.08 7.225 65 2884.77 7.219 534 2882.69 7.214 534 2879.64 7.206 38 2877.08 7.200 194 2875.24 7.195 171 1906.74 4.772 48 1906.25 4.770 48 1896.48 4.746 1000 1890.75 4.732 968 1010.25 2.528 242 1004.27 2.513 549 998.17 2.498 214
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1H NMR 89.56 MHz C7 H7 Cl O 0.042 g : 0.5 ml CDCl3 o-chlorobenzyl alcohol Assign. Shift(ppm)
A 7.45 B 7.38 to 7.05 C 4.737 D 2.38
Hz ppm Int.672.50 7.509 66 671.94 7.503 70 668.63 7.466 110 667.50 7.454 80 665.19 7.428 108 664.38 7.419 122 663.50 7.409 197 662.81 7.401 203 660.25 7.373 83 659.50 7.364 59 657.50 7.342 148 655.69 7.322 144 653.88 7.302 332 653.06 7.292 259 651.69 7.277 450 650.38 7.262 406 648.75 7.244 234 646.50 7.219 397 643.81 7.189 95 642.13 7.170 114 641.31 7.161 101 424.50 4.740 1000 424.06 4.735 999 212.94 2.378 982
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
