111-75-1

2-丁氨基乙醇(111-75-1)Raman光譜

產(chǎn)品名稱:2-丁氨基乙醇

CAS:111-75-1

分子式:C6H15NO

分子量: 117.19

InChI:InChI=1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3

InChIKey: LJDSTRZHPWMDPG-UHFFFAOYSA-N

Smiles:C(O)CNCCCC

Mass

MS-NW-2114          
2-(butylamino)ethanol
C6H15NO             (Mass of molecular ion:    117)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       4.4
      17.0       1.3
      18.0       6.8
      19.0       1.0
      26.0       1.5
      27.0      13.3
      28.0      13.9
      29.0      31.1
      30.0      89.4
      31.0       3.2
      39.0       5.8
      40.0       1.1
      41.0      25.0
      42.0      17.6
      43.0      10.6
      44.0      61.0
      45.0       9.4
      53.0       1.1
      54.0       1.5
      55.0       5.1
      56.0      48.1
      57.0      26.3
      58.0       1.9
      60.0       3.7
      70.0       2.2
      71.0       1.2
      72.0       2.0
      74.0      73.6
      75.0       2.9
      84.0       3.8
      86.0     100.0
      87.0       6.1
      98.0       2.7
      99.0       2.0
     116.0       2.1
     117.0       7.4
     128.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₅ N O	0.04 ml : 0.5 ml CDCl₃
2-(butylamino)ethanol

    Assign.     Shift(ppm)

      A             3.65
      B             2.99
      C             2.74
      D             2.62
      E             1.48
      F             1.35
      G             0.93

     Hz     ppm     Int.

    332.19   3.710    399
    328.94   3.673    132
    327.13   3.653    503
    325.88   3.639    289
    324.56   3.624    135
    321.75   3.593    535
    267.69   2.989   1000
    250.63   2.799    538
    247.81   2.767    151
    246.50   2.753    297
    245.31   2.740    519
    243.38   2.718    161
    240.31   2.684    483
    234.56   2.620    373
    230.44   2.574     70
    227.63   2.542    262
    143.06   1.598     37
    141.13   1.576     77
    138.81   1.550    108
    137.63   1.537     57
    135.69   1.516    133
    134.81   1.506    142
    132.75   1.483    254
    131.31   1.467    176
    129.44   1.446    298
    128.25   1.433    297
    126.50   1.413    246
    125.31   1.400    329
    123.25   1.377    207
    122.19   1.365    224
    119.25   1.332    126
    118.44   1.323    119
    117.13   1.308    109
    116.56   1.302    101
    115.81   1.294    115
    113.75   1.271     64
    110.38   1.233     82
    109.81   1.227     85
    108.00   1.206     47
    104.00   1.162     40
    102.81   1.148     46
     89.75   1.003    222
     88.88   0.993    343
     82.50   0.922    755
     80.00   0.894    196
     78.50   0.877    153
     76.50   0.855    111
     75.06   0.839    140
     73.00   0.816     70

in CDCl3