102-79-4

N-丁基二乙醇胺(102-79-4)質(zhì)譜(MS)

產(chǎn)品名稱:N-丁基二乙醇胺

CAS:102-79-4

分子式:C8H19NO2

分子量: 161.24

InChI:InChI=1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3

InChIKey: GVNHOISKXMSMPX-UHFFFAOYSA-N

Smiles:N(CCO)(CCO)CCCC

Mass

MS-NW-1819          
2,2'-(butylimino)diethanol
C8H19NO2            (Mass of molecular ion:    161)

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

      15.0      10.0
      17.0       2.1
      18.0      10.0
      19.0       5.1
      26.0       1.8
      27.0      20.8
      28.0      15.5
      29.0      41.1
      30.0      36.1
      31.0       7.2
      39.0       7.0
      40.0       1.2
      41.0      33.5
      42.0      41.2
      43.0      11.4
      44.0      27.9
      45.0      29.7
      53.0       1.4
      54.0       2.6
      55.0       6.3
      56.0      64.1
      57.0      21.4
      58.0       6.3
      60.0       1.9
      68.0       1.1
      70.0       5.2
      72.0       3.3
      73.0       1.5
      74.0      58.9
      75.0       2.5
      84.0       3.2
      86.0      10.8
      87.0       1.0
      88.0     100.0
      89.0       4.9
      98.0       4.4
     100.0       4.0
     104.0       1.2
     114.0       1.4
     116.0       6.0
     118.0      27.8
     119.0       1.8
     128.0       2.2
     130.0      97.8
     131.0       8.5
     160.0       1.0
     161.0       1.4
     174.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₉ N O₂	0.05 ml : 0.5 ml CDCl₃
2,2'-(butylimino)diethanol

    Assign.     Shift(ppm)

      A             3.96
      B             3.599
      C             2.636
      D             2.521
      E             1.444
      F             1.306
      G             0.917

     Hz     ppm     Int.

   1583.74   3.963    176
   1443.60   3.613    597
   1438.35   3.600    855
   1432.74   3.585    586
   1427.49   3.572     33
   1058.84   2.650    605
   1053.34   2.636    805
   1047.85   2.622    536
   1015.14   2.541    299
   1007.57   2.522    285
   1005.98   2.518    164
    999.88   2.502    302
    593.99   1.487     56
    586.91   1.469    132
    584.11   1.462    110
    581.05   1.454    112
    578.61   1.448    204
    575.56   1.441    102
    573.49   1.435    108
    571.17   1.430    157
    568.97   1.424    118
    563.72   1.411     88
    539.67   1.351     57
    532.59   1.333    160
    525.27   1.315    218
    517.21   1.295    199
    510.01   1.277    124
    502.81   1.259     41
    373.66   0.935    555
    366.46   0.917   1000
    359.13   0.899    453
    355.35   0.890     30

in CDCl3