97-78-9

N-十二烷?；“彼?97-78-9)質(zhì)譜(MS)

產(chǎn)品名稱:N-十二烷?；“彼?/a>

CAS:97-78-9

分子式:C15H29NO3

分子量: 271.4

InChI:InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)

InChIKey: BACYUWVYYTXETD-UHFFFAOYSA-N

Smiles:C(O)(=O)CN(C)C(=O)CCCCCCCCCCC

Mass

MS-NW-6901          
N-lauroyl-N-methylglycine
C15H29NO3           (Mass of molecular ion:    271)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       1.9
      18.0       1.5
      27.0       9.3
      28.0       4.1
      29.0      16.3
      30.0       1.9
      31.0       1.3
      39.0       6.0
      40.0       1.5
      41.0      33.7
      42.0      16.3
      43.0      31.6
      44.0      81.6
      45.0       6.3
      46.0       1.9
      53.0       2.4
      54.0       2.1
      55.0      24.4
      56.0       5.1
      57.0      21.0
      58.0       3.5
      60.0       2.4
      67.0       3.9
      68.0       1.8
      69.0       9.6
      70.0       2.5
      71.0       9.7
      72.0       3.8
      73.0       3.3
      79.0       1.1
      81.0       3.2
      82.0       1.0
      83.0       5.2
      84.0       3.2
      85.0       5.5
      86.0       4.7
      87.0      17.1
      88.0      10.3
      89.0      22.9
      90.0      26.1
      91.0       1.4
      95.0       3.7
      97.0       3.2
      98.0       6.6
      99.0       1.2
     100.0       8.6
     101.0       2.5
     103.0       1.3
     109.0       1.9
     111.0       1.1
     112.0       1.2
     113.0      22.4
     114.0       4.2
     115.0       1.0
     126.0       3.4
     127.0       1.3
     129.0       1.0
     131.0     100.0
     132.0       7.0
     142.0       1.1
     144.0      18.1
     145.0       2.4
     158.0       2.9
     172.0       1.0
     183.0       4.4
     184.0       1.5
     186.0       1.6
     200.0       1.5
     227.0       2.6
     228.0       1.1
     271.0       3.9
     272.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₉ N O₃	0.044 g : 0.5 ml CDCl₃
N-lauroyl-N-methylglycine

    Assign.     Shift(ppm)

      A            10.5
      B     *1      4.148
      C     *1      4.064
      D     *2      3.098
      E     *2      2.988
      F     *3      2.394
      G     *3      2.268
      J     *4      1.64
      K     *4      1.61
      L          1.42 to 1.190
      M             0.89

     Hz     ppm     Int.

   1658.02   4.149    267
   1624.50   4.065     72
   1238.39   3.099    677
   1194.25   2.989    143
    964.74   2.414     94
    957.23   2.396    117
    949.35   2.376    101
    661.05   1.655     54
    654.64   1.639     80
    654.27   1.638     80
    647.13   1.620     67
    639.62   1.601     32
    521.84   1.306    235
    505.54   1.265   1000
    361.02   0.904    184
    354.24   0.887    536
    347.28   0.869    207

in CDCl3