585-28-4

草氨酸丁酯(585-28-4)核磁图(¹³CNMR)

产品名称:草氨酸丁酯

CAS:585-28-4

分子式:C6H11NO3

分子量: 145.16

InChI:InChI=1S/C6H11NO3/c1-2-3-4-10-6(9)5(7)8/h2-4H2,1H3,(H2,7,8)

InChIKey: JQOLMUGUXNNIOR-UHFFFAOYSA-N

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

Mass

MS-IW-9141          
butyl oxamate
C6H11NO3            (Mass of molecular ion:    145)

   Source Temperature: 120 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      16.0       1.6
      17.0       1.7
      18.0       7.9
      26.0       1.5
      27.0      12.7
      28.0       7.4
      29.0      69.6
      30.0       1.7
      31.0       5.2
      39.0       8.4
      40.0       1.3
      41.0      66.7
      42.0       3.5
      43.0       5.0
      44.0      44.9
      45.0       4.4
      46.0      14.2
      53.0       1.2
      55.0      10.4
      56.0      22.4
      57.0     100.0
      58.0       4.5
      59.0       1.3
      72.0       1.0
      73.0       6.5
      74.0       1.1
      75.0       2.8
      86.0       3.0
      90.0       3.4
     101.0       2.5
     117.0       6.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₁ N O₃	0.039 g : 0.5 ml CDCl₃
butyl oxamate

    Assign.     Shift(ppm)

      A     *1      7.14
      B     *1      7.07
      C             4.300
      D             1.744
      E             1.428
      F             0.954

     Hz     ppm     Int.

   2854.25   7.142     45
   2824.83   7.069     44
   1725.59   4.318    301
   1718.75   4.301    586
   1711.91   4.284    300
    710.69   1.779     71
    703.74   1.761    170
    700.93   1.754     64
    697.51   1.746    155
    696.53   1.743    203
    694.09   1.737    111
    690.67   1.729     73
    688.60   1.724    176
    681.76   1.706     78
    589.11   1.475     45
    583.25   1.460     41
    581.67   1.456    138
    575.81   1.441     88
    574.10   1.437    198
    568.48   1.423     89
    566.41   1.418    207
    561.16   1.405     41
    559.08   1.399    133
    551.64   1.381     40
    388.67   0.973    515
    381.35   0.955   1000
    373.90   0.936    446

in CDCl3