3-methyltricyclo[3.3.1.13,7]decan-1-ylacetic acid(14202-13-2) MS

Product Name3-methyltricyclo[3.3.1.13,7]decan-1-ylacetic acid

CAS 14202-13-2

Molecular FormulaC13H20O2

Molecular Weight208.3

InChIInChI=1S/C13H20O2/c1-12-3-9-2-10(4-12)6-13(5-9,8-12)7-11(14)15/h9-10H,2-8H2,1H3,(H,14,15)

InChIKey OIASGIUDXARLDU-UHFFFAOYSA-N

SmilesC12(CC(O)=O)CC3CC(CC(C)(C3)C1)C2

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IR1

IR2

Mass

MS-NW-6703          
3-methyl-1-adamantaneacetic acid
C13H20O2            (Mass of molecular ion:    208)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       2.8
      29.0       3.0
      39.0       4.1
      41.0       7.9
      43.0       1.0
      51.0       1.1
      53.0       3.0
      55.0       4.3
      60.0       1.1
      65.0       1.8
      67.0       2.9
      69.0       2.0
      77.0       4.5
      78.0       1.0
      79.0       5.9
      81.0       4.3
      91.0      10.3
      92.0       3.0
      93.0      20.4
      94.0       1.8
      95.0       1.4
     105.0       8.8
     106.0       2.4
     107.0       7.7
     119.0       1.7
     121.0       1.8
     133.0       9.9
     134.0       1.2
     147.0       2.3
     149.0     100.0
     150.0      12.2
     151.0       1.2
     175.0       1.2
     193.0      11.4
     194.0       1.5
     208.0       1.2

KBr disc

nujol mull

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