629-78-7

n-Heptadecane(629-78-7) IR1

Product Namen-Heptadecane

CAS 629-78-7

Molecular FormulaC17H36

Molecular Weight240.47

InChIInChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

InChIKey NDJKXXJCMXVBJW-UHFFFAOYSA-N

SmilesCCCCCCCCCCCCCCCCC

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n-Heptadecane(629-78-7) IR1
Mass

MS-NW-2741          
n-heptadecane
C17H36              (Mass of molecular ion:    240)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       4.3
      29.0      12.1
      39.0       2.6
      41.0      21.2
      42.0       5.9
      43.0      64.7
      44.0       2.1
      54.0       1.2
      55.0      13.6
      56.0      11.7
      57.0     100.0
      58.0       4.3
      67.0       1.1
      68.0       1.2
      69.0       7.5
      70.0       9.8
      71.0      64.1
      72.0       3.5
      82.0       1.3
      83.0       5.4
      84.0       7.0
      85.0      44.7
      86.0       2.9
      97.0       4.0
      98.0       5.2
      99.0      11.1
     111.0       1.9
     112.0       3.8
     113.0       7.2
     126.0       2.8
     127.0       5.4
     140.0       2.2
     141.0       4.3
     154.0       1.6
     155.0       3.6
     168.0       1.2
     169.0       3.1
     183.0       2.7
     197.0       1.6
     240.0       4.0

90 MHz in CDCl3

n-Heptadecane(629-78-7) IR1

¹H NMR	89.56 MHz
C₁₇ H₃₆	0.045 g : 0.5 ml CDCl₃
N-heptadecane

    Assign.     Shift(ppm)

      A             1.26
      B             0.88

     Hz     ppm     Int.

    112.81   1.260   1000
     83.81   0.936     33
     82.94   0.927     31
     82.38   0.920     30
     82.06   0.917     30
     78.81   0.880     77
     72.75   0.813     21

in CDCl3