484-66-2

2,3,4,5,6-Pentamethylbenzyl alcohol(484-66-2) IR2

Product Name2,3,4,5,6-Pentamethylbenzyl alcohol

CAS 484-66-2

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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IR1

IR2

2,3,4,5,6-Pentamethylbenzyl alcohol(484-66-2) IR2
Mass

MS-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