N-PENTACOSANE(629-99-2) ¹³C NMR

Product NameN-PENTACOSANE

CAS 629-99-2

Molecular FormulaC25H52

Molecular Weight352.68

InChIInChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3

InChIKey YKNWIILGEFFOPE-UHFFFAOYSA-N

SmilesCCCCCCCCCCCCCCCCCCCCCCCCC

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Mass

MS-NW-2053          
pentacosane
C25H52              (Mass of molecular ion:    352)

   Source Temperature: 160 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      18.0       3.7
      27.0       3.0
      28.0       1.6
      29.0      11.5
      39.0       1.9
      41.0      21.2
      42.0       5.7
      43.0      62.2
      44.0       2.1
      54.0       1.9
      55.0      20.3
      56.0      12.0
      57.0     100.0
      58.0       4.6
      67.0       2.2
      68.0       2.5
      69.0      13.0
      70.0      10.4
      71.0      71.5
      72.0       3.9
      81.0       1.1
      82.0       3.3
      83.0      11.1
      84.0       8.1
      85.0      50.3
      86.0       3.3
      96.0       2.1
      97.0       9.2
      98.0       6.8
      99.0      20.5
     100.0       1.6
     110.0       1.1
     111.0       5.4
     112.0       6.5
     113.0      14.9
     114.0       1.3
     125.0       3.0
     126.0       6.1
     127.0      12.5
     128.0       1.2
     139.0       1.5
     140.0       5.6
     141.0      10.8
     142.0       1.2
     154.0       4.9
     155.0       9.4
     156.0       1.2
     168.0       4.6
     169.0       8.7
     170.0       1.1
     182.0       4.0
     183.0       8.0
     184.0       1.1
     196.0       3.6
     197.0       7.5
     198.0       1.1
     210.0       3.2
     211.0       6.7
     212.0       1.0
     224.0       2.8
     225.0       6.5
     226.0       1.2
     238.0       2.5
     239.0       6.1
     240.0       1.1
     252.0       2.1
     253.0       5.7
     254.0       1.1
     266.0       1.8
     267.0       5.3
     268.0       1.1
     280.0       1.5
     281.0       5.0
     282.0       1.1
     294.0       1.3
     295.0       4.5
     309.0       2.7
     323.0       1.6
     352.0      36.2
     353.0      10.2
     354.0       1.3

in CDCl3