2,3,4,5,6-PENTAMETHYLBENZYL ALCOHOL(484-66-2) IR1
Product Name2,3,4,5,6-PENTAMETHYLBENZYL ALCOHOL
CAS484-66-2
Molecular FormulaC12H18O
Molecular Weight178.27
InChIInChI=1S/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3
InChIKey CMBCAWNOBIGGTE-UHFFFAOYSA-N
SmilesC1(CO)=C(C)C(C)=C(C)C(C)=C1C
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MassMS-IW-8244 2,3,4,5,6-pentamethylbenzyl alcohol C12H18O (Mass of molecular ion: 178)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 3.4 27.0 2.6 28.0 5.0 29.0 1.4 32.0 1.2 39.0 4.8 41.0 6.4 43.0 1.4 51.0 3.9 52.0 1.1 53.0 4.1 55.0 2.7 63.0 2.0 64.0 2.7 65.0 5.5 66.0 1.1 67.0 1.8 70.5 1.6 71.0 1.8 77.0 8.0 78.0 2.8 79.0 5.2 80.0 2.1 91.0 15.7 92.0 1.7 93.0 2.8 103.0 2.8 104.0 1.1 105.0 14.1 106.0 1.8 107.0 3.3 115.0 8.9 116.0 3.8 117.0 9.5 118.0 1.9 119.0 17.5 120.0 4.3 121.0 2.0 127.0 2.1 128.0 7.1 129.0 8.7 130.0 9.8 131.0 7.2 132.0 2.4 133.0 16.5 134.0 6.4 135.0 13.5 136.0 1.7 141.0 1.4 143.0 2.6 144.0 2.9 145.0 54.0 146.0 8.1 147.0 41.0 148.0 7.9 149.0 12.7 150.0 1.5 159.0 6.9 160.0 100.0 161.0 26.3 162.0 17.7 163.0 5.3 175.0 4.6 176.0 3.3 177.0 1.0 178.0 48.2 179.0 6.2
KBr disc
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