592-35-8

氨基甲酸丁酯(592-35-8)质谱(MS)

产品名称:氨基甲酸丁酯

CAS:592-35-8

分子式:C5H11NO2

分子量: 117.15

InChI:InChI=1S/C5H11NO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H2,6,7)

InChIKey: SKKTUOZKZKCGTB-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)N

Mass

MS-NW-1424          
butyl carbamate
C5H11NO2            (Mass of molecular ion:    117)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.1
      16.0       2.2
      17.0       1.5
      18.0      11.0
      19.0       1.4
      26.0       2.1
      27.0      18.5
      28.0       9.7
      29.0      20.1
      31.0      29.2
      39.0       9.0
      40.0       2.0
      41.0      39.3
      42.0       4.5
      43.0      12.0
      44.0      72.9
      45.0      18.9
      46.0       2.8
      53.0       1.0
      55.0      21.8
      56.0      59.0
      57.0       5.5
      59.0       3.4
      62.0     100.0
      63.0       1.5
      72.0       1.0
      73.0      10.9
      74.0      22.8
      75.0       1.5
      88.0       6.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₁ N O₂	0.045 g : 0.5 ml CDCl₃
butyl carbamate

    Assign.     Shift(ppm)

      A             5.1
      B             4.051
      C             1.58
      D             1.40
      E             0.94

     Hz     ppm     Int.

    369.50   4.126    350
    363.06   4.054    984
    356.63   3.983    473
    144.31   1.612    206
    142.19   1.588    163
    138.75   1.550    226
    138.13   1.543    250
    136.81   1.528    231
    136.50   1.525    223
    135.38   1.512    163
    134.88   1.507    133
    134.31   1.500    139
    133.25   1.488    268
    131.81   1.472    187
    129.19   1.443    139
    127.69   1.426    182
    127.31   1.422    186
    126.56   1.414    121
    125.56   1.402    177
    122.00   1.363    170
    118.94   1.329    176
    112.50   1.257    150
     89.88   1.004    438
     83.50   0.933   1000
     82.00   0.916    294
     77.31   0.864    155
     76.06   0.850    200

in CDCl3