3,5-DIMETHYLBENZYL ALCOHOL(27129-87-9) MS
Product Name3,5-DIMETHYLBENZYL ALCOHOL
CAS27129-87-9
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3
InChIKey IQWWTJDRVBWBEL-UHFFFAOYSA-N
SmilesC1(CO)=CC(C)=CC(C)=C1
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MassMS-NW-7399 3,5-dimethylbenzyl alcohol C9H12O (Mass of molecular ion: 136)
Source Temperature: 200 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 5.0 28.0 1.7 29.0 1.8 31.0 1.8 38.0 1.9 39.0 13.3 40.0 1.7 41.0 5.8 43.0 1.9 50.0 4.6 51.0 11.1 52.0 3.3 53.0 6.0 55.0 1.2 57.5 1.1 58.0 1.1 60.0 4.4 60.5 1.1 62.0 2.9 63.0 7.3 64.0 1.9 65.0 12.1 66.0 2.5 67.0 7.1 67.5 1.3 74.0 2.0 75.0 1.7 76.0 1.2 77.0 33.6 78.0 7.2 79.0 13.9 80.0 1.3 89.0 2.7 90.0 1.2 91.0 64.0 92.0 8.9 93.0 60.2 94.0 5.3 102.0 1.9 103.0 9.6 104.0 3.7 105.0 23.7 106.0 3.1 107.0 52.8 108.0 5.6 115.0 4.4 116.0 1.2 117.0 9.1 118.0 18.3 119.0 14.0 120.0 2.4 121.0 90.2 122.0 8.2 133.0 4.8 134.0 2.0 135.0 12.7 136.0 100.0 137.0 10.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O 0.05 ml : 0.5 ml CDCl3 3,5-dimethylbenzyl alcohol 
Assign. Shift(ppm)
A 6.93 B 4.551 C 2.295 D 2.15
Hz ppm Int.620.81 6.932 275 407.63 4.552 361 205.88 2.299 1000 205.38 2.294 961 192.88 2.154 340
in CDCl3
liquid film
4880 A,150M,liquid
