3-(4-AMINOPHENYL)PROPIONIC ACID(2393-17-1) IR1

Product Name3-(4-AMINOPHENYL)PROPIONIC ACID

CAS 2393-17-1

Molecular FormulaC9H11NO2

Molecular Weight165.19

InChIInChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12)

InChIKey WXOHKMNWMKZMND-UHFFFAOYSA-N

SmilesC1(CCC(O)=O)=CC=C(N)C=C1

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3-(4-AMINOPHENYL)PROPIONIC ACID(2393-17-1) IR1
Mass

MS-NW-9366          
3-(p-aminophenyl)propionic acid
C9H11NO2            (Mass of molecular ion:    165)

   Source Temperature: 210 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      39.0       1.4
      51.0       1.0
      65.0       2.2
      77.0       4.3
      78.0       1.6
      79.0       2.9
      91.0       2.8
      93.0       1.3
     104.0       1.3
     106.0     100.0
     107.0       8.2
     117.0       1.1
     118.0       3.5
     119.0       3.1
     120.0       1.7
     122.0       1.0
     165.0      31.4
     166.0       3.4

400 MHz in DMSO-d6

3-(4-AMINOPHENYL)PROPIONIC ACID(2393-17-1) IR1

¹H NMR	399.65 MHz
C₉ H₁₁ N O₂	0.038 g : 0.5 ml DMSO-d₆
3-(p-aminophenyl)propionic acid

    Assign.     Shift(ppm)

      A             6.861
      B             6.482
      C             2.642
      D             2.421

     Hz     ppm     Int.

   2757.45   6.900     26
   2757.08   6.899     26
   2754.52   6.893     31
   2746.58   6.873    774
   2738.16   6.852    816
   2602.17   6.512     29
   2597.17   6.499    173
   2594.60   6.493   1000
   2592.65   6.488    331
   2588.13   6.476    336
   2586.30   6.472    863
   2583.62   6.465    108
   1064.21   2.663    313
   1056.76   2.645    640
   1049.07   2.625    416
    974.85   2.440    510
    966.92   2.420    775
    959.59   2.402    346

in DMSO-d6