2-Methylbenzyl alcohol(89-95-2) MS
Product Name2-Methylbenzyl alcohol
CAS89-95-2
Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3
InChIKey XPNGNIFUDRPBFJ-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC=C1C
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MassMS-NW-6674 o-methylbenzyl alcohol C8H10O (Mass of molecular ion: 122)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 4.6 28.0 2.4 29.0 2.4 31.0 2.2 37.0 1.1 38.0 2.5 39.0 13.4 40.0 1.4 41.0 3.5 43.0 1.4 50.0 5.2 51.0 13.3 52.0 4.4 53.0 3.1 60.0 4.4 60.5 1.0 61.0 1.4 62.0 3.0 63.0 7.1 64.0 1.9 65.0 13.8 66.0 1.4 74.0 1.5 75.0 1.2 76.0 1.0 77.0 32.7 78.0 14.1 79.0 35.1 80.0 2.6 89.0 3.6 90.0 1.3 91.0 33.1 92.0 3.7 93.0 19.7 94.0 1.8 102.0 1.5 103.0 12.8 104.0 100.0 105.0 16.5 106.0 2.1 107.0 33.2 108.0 2.8 119.0 3.5 120.0 1.4 121.0 5.8 122.0 31.6 123.0 2.9
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C8 H10 O 0.041 g : 0.5 ml CDCl3 o-methylbenzyl alcohol 
Assign. Shift(ppm)
A 7.47 to 7.00 B 4.633 C 2.322 D 1.90
Hz ppm Int.658.63 7.355 33 656.81 7.334 25 655.00 7.314 59 653.69 7.299 54 651.13 7.271 82 649.38 7.251 68 648.69 7.244 78 646.63 7.221 68 643.63 7.187 382 640.38 7.151 327 637.69 7.121 45 415.06 4.635 641 208.13 2.324 1000 170.19 1.901 700
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1H NMR 399.65 MHz C8 H10 O 0.042 g : 0.5 ml CDCl3 o-methylbenzyl alcohol Assign. Shift(ppm)
A *1 7.304 B *2 7.18 C *2 7.17 D *1 7.14 E 4.606 F 2.306 G 2.15 J(E,G)=5.3HZ. B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.2923.71 7.316 79 2922.12 7.312 60 2921.63 7.311 58 2921.14 7.310 53 2920.29 7.308 52 2919.56 7.306 48 2918.09 7.302 104 2914.79 7.294 104 2878.91 7.204 31 2874.02 7.192 131 2872.07 7.187 141 2868.53 7.178 389 2865.23 7.170 261 2863.04 7.164 175 2859.01 7.154 165 2855.71 7.146 97 2853.64 7.141 40 2853.15 7.140 38 2852.66 7.138 40 2849.98 7.132 51 1843.75 4.614 227 1838.50 4.601 228 921.88 2.307 1000 866.21 2.168 55 860.84 2.154 133 855.22 2.140 50
in CDCl3
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
