3535-83-9

四正庚基碘化銨(3535-83-9)核磁圖(¹HNMR)

分子式:C28H60IN

分子量: 537.69

InChI:InChI=1S/C28H60N.HI/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1

InChIKey: KCSOHLKZTZMKQA-UHFFFAOYSA-M

Smiles:[N+](CCCCCCC)(CCCCCCC)(CCCCCCC)CCCCCCC.[I-]

Mass

MS-IW-4181          
tetraheptylammonium iodide
C28H60IN            (Mass of molecular ion:    537)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.5
      18.0       8.5
      27.0       1.5
      29.0       3.6
      30.0       1.2
      39.0       1.0
      41.0       8.1
      42.0       2.3
      43.0      10.1
      44.0       3.4
      55.0       5.1
      56.0       1.9
      57.0      27.2
      58.0       5.4
      69.0       1.0
      70.0       1.6
      71.0       1.0
      84.0       1.2
      98.0       2.2
      99.0       3.0
     112.0       1.5
     126.0       1.0
     128.0       2.8
     140.0       2.9
     142.0      17.2
     143.0       1.8
     212.0       1.3
     224.0       6.4
     225.0       1.1
     226.0     100.0
     227.0      17.0
     228.0       1.3
     252.0       2.8
     310.0       2.0
     311.0       3.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₈ H₆₀ I N	0.036 g : 0.5 ml CDCl₃
tetraheptylammonium iodide

    Assign.     Shift(ppm)

      A             3.360
      B             1.692
      C             1.40
      D             1.29
      E             0.887

     Hz     ppm     Int.

   1351.32   3.382    174
   1345.70   3.368    137
   1343.02   3.361    160
   1339.84   3.353    133
   1334.35   3.339    182
    691.77   1.731     41
    684.45   1.713    104
    683.47   1.711    103
    677.37   1.695    141
    669.80   1.676    118
    661.50   1.656     54
    579.83   1.451     35
    570.92   1.429    102
    565.43   1.415    164
    560.06   1.402    254
    557.13   1.395    255
    556.88   1.394    255
    554.44   1.388    271
    539.92   1.351    109
    532.35   1.333    109
    526.61   1.318    161
    524.54   1.313    173
    520.14   1.302    304
    517.94   1.296    464
    515.14   1.289    405
    511.23   1.280    310
    361.45   0.905    363
    354.61   0.888   1000
    347.66   0.870    393

in CDCl3