2835-82-7

3-氨基丁酸(2835-82-7)红外图谱(IR1)

产品名称:3-氨基丁酸

CAS:2835-82-7

分子式:C4H9NO2

分子量: 103.12

InChI:InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)

InChIKey: OQEBBZSWEGYTPG-UHFFFAOYSA-N

Smiles:C(N)(C)CC(=O)O

Mass

MS-NW-8159          
DL-3-amino-n-butyric acid
C4H9NO2             (Mass of molecular ion:    103)

   Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       2.8
      18.0      16.3
      27.0       2.8
      28.0      10.7
      29.0       1.1
      30.0       1.2
      39.0       2.7
      40.0       1.6
      41.0       5.6
      42.0      17.2
      43.0      19.6
      44.0     100.0
      45.0       4.7
      46.0       4.8
      56.0       1.1
      57.0       2.5
      58.0       1.7
      60.0       1.5
      70.0      21.4
      84.0       2.3
      88.0      14.7
     103.0       1.4

90 MHz in D2O

400 MHz in D2O

¹H NMR	89.56 MHz
C₄ H₉ N O₂	0.045 g : 0.5 ml D₂O
DL-3-amino-N-butyric acid

    Assign.     Shift(ppm)

      A             3.615
      B             2.499
      C             1.324
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

    334.11   3.731     89
    327.70   3.660    183
    320.95   3.584    198
    314.03   3.507    115
    307.53   3.434     33
    226.61   2.531    768
    220.12   2.458    560
    121.85   1.361   1000
    115.19   1.287    931

¹H NMR	399.65 MHz
C₄ H₉ N O₂	0.036 g : 0.5 ml D₂O
DL-3-amino-N-butyric acid

    Assign.     Shift(ppm)

      A             3.616
      B             3.501
      C             1.324
     
     THE SOLVENT PEAK SUPPRESSED.

     Hz     ppm     Int.

   1462.04   3.659     30
   1455.44   3.642    110
   1448.73   3.625    203
   1445.31   3.617     59
   1442.02   3.609    204
   1435.30   3.592    111
   1001.34   2.506    605
    995.12   2.490    448
    993.90   2.487    441
    544.56   1.363     38
    543.82   1.361     39
    542.85   1.359     41
    532.35   1.333   1000
    525.63   1.316    942

in D2O