17432-38-1

Pentamethylbenzaldehyde(17432-38-1) IR2

Product NamePentamethylbenzaldehyde

CAS 17432-38-1

Molecular FormulaC12H16O

Molecular Weight176.25

InChIInChI=1S/C12H16O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6H,1-5H3

InChIKey RWOZGGOKRKSHKN-UHFFFAOYSA-N

SmilesC(=O)C1=C(C)C(C)=C(C)C(C)=C1C

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¹HNMR

IR1

IR2

Pentamethylbenzaldehyde(17432-38-1) IR2
Mass

MS-IW-8241          
pentamethylbenzaldehyde
C12H16O             (Mass of molecular ion:    176)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.4
      29.0       1.2
      39.0       5.3
      41.0       6.6
      50.0       1.0
      51.0       4.2
      52.0       1.3
      53.0       3.8
      55.0       3.3
      63.0       2.4
      64.0       2.3
      65.0       4.8
      66.0       1.0
      67.0       1.2
      73.0       1.4
      77.0       7.5
      78.0       2.3
      79.0       4.5
      80.0       1.5
      88.0       1.2
      89.0       1.0
      91.0      15.2
      92.0       1.6
      93.0       2.2
     103.0       2.5
     105.0      11.4
     106.0       1.3
     107.0       2.8
     115.0       9.1
     116.0       4.6
     117.0      10.1
     118.0       2.1
     119.0       9.7
     120.0       1.2
     127.0       1.5
     128.0       4.3
     129.0       3.9
     130.0       2.2
     131.0       6.8
     132.0       3.8
     133.0      30.2
     134.0       3.7
     135.0       1.2
     145.0       5.5
     146.0       1.7
     147.0      85.9
     148.0      15.2
     149.0       2.5
     160.0       6.8
     161.0       9.0
     162.0      11.7
     163.0       1.7
     174.0       1.0
     175.0     100.0
     176.0      85.6
     177.0      10.8
     178.0       3.9
     190.0       1.2