35656-89-4

4-(4-BROMOPHENYL)BUTANOIC ACID(35656-89-4) IR1

Product Name4-(4-BROMOPHENYL)BUTANOIC ACID

CAS 35656-89-4

Molecular FormulaC10H11BrO2

Molecular Weight243.1

InChIInChI=1S/C10H11BrO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)

InChIKey AGIIMNQWNPUJPT-UHFFFAOYSA-N

SmilesC1(CCCC(O)=O)=CC=C(Br)C=C1

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¹HNMR

IR1

IR2

4-(4-BROMOPHENYL)BUTANOIC ACID(35656-89-4) IR1
Mass

MS2008-03746CW      
4-(p-bromophenyl)butyric acid
C10H11BrO2          (Mass of molecular ion:    242)

   Source Temperature: 250 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      17.0       1.2
      18.0       5.8
      27.0       1.3
      39.0       3.8
      41.0       1.5
      45.0       1.4
      50.0       2.4
      51.0       3.8
      57.5       1.1
      58.0       2.1
      60.0       6.0
      62.0       1.5
      63.0       5.1
      64.0       1.8
      65.0       1.9
      74.0       1.1
      75.0       1.9
      76.0       1.6
      77.0       6.4
      78.0       1.8
      89.0      11.9
      90.0      18.9
      91.0       6.1
     102.0       2.3
     103.0      10.2
     104.0       6.8
     105.0       1.8
     115.0       5.9
     116.0       3.6
     117.0       6.6
     118.0       2.0
     169.0      34.3
     170.0       2.7
     171.0      33.4
     172.0       2.7
     182.0     100.0
     183.0      14.2
     184.0      97.7
     185.0      13.6
     224.0       1.1
     226.0       1.1
     242.0      25.9
     243.0       2.8
     244.0      25.3
     245.0       2.8