ISOPROPYL 4-AMINOBENZOATE(18144-43-9) IR3

Product NameISOPROPYL 4-AMINOBENZOATE

CAS 18144-43-9

Molecular FormulaC10H13NO2

Molecular Weight179.22

InChIInChI=1S/C10H13NO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3

InChIKey JWCPZKNBPMSYND-UHFFFAOYSA-N

SmilesC(OC(C)C)(=O)C1=CC=C(N)C=C1

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Mass

MS-NW-3783          
isopropyl p-aminobenzoate
C10H13NO2           (Mass of molecular ion:    179)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.1
      27.0       3.8
      28.0       1.1
      38.0       1.6
      39.0       8.0
      41.0       5.7
      42.0       1.4
      43.0       4.3
      52.0       1.5
      59.0       1.0
      63.0       2.5
      64.0       2.6
      65.0      18.2
      66.0       2.7
      91.0       2.5
      92.0      18.6
      93.0       4.1
     108.0       1.4
     119.0       1.2
     120.0     100.0
     121.0      14.8
     122.0       1.1
     134.0       1.3
     136.0       1.2
     137.0      67.6
     138.0       6.4
     164.0       1.1
     179.0      40.6
     180.0       4.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₃ N O₂	0.043 g : 0.5 ml CDCl₃
isopropyl p-aminobenzoate

    Assign.     Shift(ppm)

      A             7.84
      B             6.62
      C             5.19
      D             4.
      E             1.327

     Hz     ppm     Int.

    706.81   7.893    154
    704.88   7.871     52
    700.13   7.818     51
    698.06   7.795    179
    695.56   7.767     29
    596.75   6.664    112
    595.00   6.644     47
    590.00   6.588     38
    588.06   6.567     97
    585.69   6.540     23
    471.56   5.266     57
    465.31   5.196     78
    459.13   5.127     59
    452.81   5.056     25
    122.06   1.363   1000
    117.69   1.315     39
    115.81   1.294    968

in CDCl3