8-氨基辛酸(1002-57-9)Raman光譜

產(chǎn)品名稱:8-氨基辛酸

CAS:1002-57-9

分子式:C8H17NO2

分子量: 159.23

InChI:InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)

InChIKey: UQXNEWQGGVUVQA-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCCCN

Mass

MS-NW-6132          
8-aminooctanoic acid
C8H17NO2            (Mass of molecular ion:    159)

   Source Temperature: 160 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       3.6
      27.0       5.0
      28.0       3.6
      29.0       3.1
      30.0     100.0
      31.0       2.4
      39.0       4.0
      41.0       7.8
      42.0       2.8
      43.0       2.5
      44.0       3.4
      45.0       6.7
      53.0       1.1
      54.0       1.1
      55.0       5.0
      56.0       3.5
      59.0       1.5
      60.0       1.3
      67.0       1.3
      68.0       1.2
      69.0       1.6
      72.0       1.3
      73.0       1.0
      86.0       3.0
      87.0       1.1
     100.0      11.6

400 MHz in D2O

¹H NMR	399.65 MHz
C₈ H₁₇ N O₂	0.042 g : 0.5 ml D₂O
8-aminooctanoic acid

    Assign.     Shift(ppm)

      A             2.988
      B             2.176
      C             1.660
      D             1.556
      E             1.36

     Hz     ppm     Int.

   1201.66   3.007    569
   1194.21   2.989    739
   1186.52   2.969    611
    877.44   2.196    515
    870.00   2.177   1000
    862.55   2.159    577
    677.98   1.697     78
    670.53   1.678    220
    663.45   1.661    345
    656.13   1.642    260
    648.56   1.623    110
    644.65   1.614     33
    643.80   1.611     31
    642.21   1.607     30
    641.85   1.607     30
    636.47   1.593    109
    629.03   1.574    290
    621.95   1.557    396
    614.87   1.539    299
    609.74   1.526     80
    607.42   1.520    110
    566.53   1.418     60
    560.18   1.402    168
    559.81   1.401    169
    559.45   1.400    169
    551.64   1.381    453
    546.63   1.368    504
    543.33   1.360    587
    541.87   1.356    564
    538.82   1.349    493
    533.45   1.335    427
    525.76   1.316    294
    520.39   1.303    162
    509.03   1.274     34

KBr disc