6-Aminocaproic acid(60-32-2) IR1

Product Name6-Aminocaproic acid

CAS 60-32-2

Molecular FormulaC6H13NO2

Molecular Weight131.17

InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)

InChIKey SLXKOJJOQWFEFD-UHFFFAOYSA-N

SmilesC(O)(=O)CCCCCN

Request For Quotation

6-Aminocaproic acid(60-32-2) IR1
Mass

MS-NW-1638          
6-aminohexanoic acid
C6H13NO2            (Mass of molecular ion:    131)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.0
      27.0       2.9
      28.0       3.6
      29.0       1.7
      30.0     100.0
      31.0       1.8
      39.0       2.0
      41.0       3.5
      42.0       1.7
      43.0       1.4
      44.0       1.8
      45.0       5.6
      55.0       2.0
      56.0       1.7
      59.0       1.5
      72.0       3.6

400 MHz in D2O

6-Aminocaproic acid(60-32-2) IR1

¹H NMR	399.65 MHz
C₆ H₁₃ N O₂	0.040 g : 0.5 ml D₂O
6-aminohexanoic acid

    Assign.     Shift(ppm)

      A             3.003
      B             2.202
      C             1.682
      D             1.597
      E             1.388

     Hz     ppm     Int.

   1207.76   3.023    533
   1200.32   3.004    671
   1192.75   2.985    563
    887.57   2.221    486
    880.25   2.203   1000
    872.80   2.184    542
    687.62   1.721    111
    680.05   1.702    245
    672.36   1.683    388
    664.79   1.664    276
    657.23   1.645    146
    653.32   1.635    119
    646.00   1.617    299
    638.43   1.598    391
    630.74   1.579    323
    623.29   1.560    137
    567.63   1.421    121
    562.50   1.408    158
    560.06   1.402    281
    555.54   1.391    139
    552.61   1.383    378
    547.12   1.369    133
    544.19   1.362    185
    537.72   1.346     63
    536.99   1.344     67

KBr disc