5451-55-8

4-tert-Butylcyclohexanecarboxylic acid(5451-55-8) ¹H NMR

Product Name4-tert-Butylcyclohexanecarboxylic acid

CAS 5451-55-8

Molecular FormulaC11H20O2

Molecular Weight184.28

InChIInChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)

InChIKey QVQKEGYITJBHRQ-UHFFFAOYSA-N

SmilesC1(C(O)=O)CCC(C(C)(C)C)CC1

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4-tert-Butylcyclohexanecarboxylic acid(5451-55-8) <sup>1</sup>H NMR
Mass

MS-NW-9368          
4-tert-butylcyclohexanecarboxylic acid
C11H20O2            (Mass of molecular ion:    184)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       4.3
      28.0       1.7
      29.0      11.1
      39.0       5.6
      40.0       1.1
      41.0      28.6
      42.0       1.7
      43.0       7.8
      45.0       1.5
      53.0       3.5
      54.0       2.5
      55.0       9.9
      56.0      41.4
      57.0     100.0
      58.0       4.5
      60.0       1.8
      61.0       1.4
      67.0      10.4
      68.0       5.3
      69.0       5.1
      73.0       8.1
      77.0       2.3
      79.0       3.2
      80.0       3.1
      81.0      27.0
      82.0       3.9
      83.0       3.5
      86.0       1.2
      87.0       1.3
      93.0       1.8
      95.0       2.3
      99.0       3.1
     108.0       4.4
     109.0       6.1
     110.0       2.8
     111.0       1.1
     123.0      12.1
     124.0       1.2
     126.0       2.9
     127.0       6.6
     128.0      21.7
     129.0      42.8
     130.0       3.4
     151.0       3.2