13,15-octacosadiyne(24643-46-7) MS

Product Name13,15-octacosadiyne

CAS 24643-46-7

Molecular FormulaC28H50

Molecular Weight386.7

InChIInChI=1S/C28H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

InChIKey WORVNKKFYJQVPK-UHFFFAOYSA-N

SmilesCCCCCCCCCCCCC#CC#CCCCCCCCCCCCC

Request For Quotation

¹HNMR

¹³CNMR

Mass

MS-IW-5284          
13,15-octacosadiyne
C28H50              (Mass of molecular ion:    386)

   Source Temperature: 190 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      27.0       7.8
      28.0       2.0
      29.0      24.5
      39.0       6.1
      40.0       1.0
      41.0      58.5
      42.0       6.5
      43.0      80.5
      44.0       3.0
      51.0       2.8
      52.0       1.0
      53.0       4.8
      54.0       5.7
      55.0      68.3
      56.0       8.6
      57.0      58.4
      58.0       2.6
      63.0       1.7
      64.0       1.0
      65.0       7.7
      66.0       4.6
      67.0      84.0
      68.0      10.5
      69.0      47.7
      70.0       6.2
      71.0      22.6
      72.0       1.3
      76.0       3.2
      77.0      18.7
      78.0      20.3
      79.0      65.2
      80.0      31.9
      81.0      91.2
      82.0      30.2
      83.0      37.6
      84.0       4.0
      85.0      12.0
      89.0       2.4
      90.0       1.3
      91.0      83.9
      92.0      28.3
      93.0      62.3
      94.0      37.6
      95.0      74.5
      96.0      21.0
      97.0      23.5
      98.0       2.8
      99.0       1.5
     103.0       6.6
     104.0       7.1
     105.0      58.7
     106.0      20.3
     107.0      59.8
     108.0      24.4
     109.0      36.9
     110.0       9.7
     111.0       9.7
     112.0       1.3
     115.0       5.5
     116.0       3.2
     117.0      19.9
     118.0       7.9
     119.0      63.8
     120.0      26.0
     121.0     100.0
     122.0      25.1
     123.0      21.2
     124.0       6.4
     125.0       2.9
     128.0       2.0
     129.0       3.6
     130.0       2.1
     131.0      14.3
     132.0       4.8
     133.0      63.7
     134.0      31.9
     135.0      49.2
     136.0      10.3
     137.0      11.0
     138.0       3.5
     143.0       1.4
     145.0       7.8
     146.0       3.0
     147.0      47.6
     148.0      28.4
     149.0      19.4
     150.0       5.6
     151.0       5.8
     152.0       2.3
     159.0       4.0
     160.0       1.7
     161.0      47.7
     162.0      18.1
     163.0       9.8
     164.0       3.4
     165.0       3.2
     166.0       2.0
     173.0       2.6
     174.0       1.0
     175.0      26.4
     176.0       7.3
     177.0       9.3
     178.0       4.8
     179.0       6.2
     180.0       7.2
     181.0       1.1
     187.0       1.2
     189.0      11.9
     190.0       3.8
     191.0      12.4
     192.0      12.9
     193.0       5.0
     194.0       1.8
     203.0      10.5
     204.0       4.0
     205.0      14.9
     206.0       7.9
     207.0       2.2
     217.0      25.3
     218.0       6.6
     219.0       5.1
     220.0       1.6
     231.0      13.8
     232.0       7.4
     233.0      10.9
     234.0       2.7
     245.0       6.0
     246.0       2.2
     247.0       2.0
     259.0       8.3
     260.0       3.1
     261.0       2.1
     273.0      26.6
     274.0       9.9
     275.0       3.1
     287.0      12.0
     288.0       3.9
     289.0       1.4
     301.0      11.0
     302.0       4.5
     303.0       1.6
     315.0       6.5
     316.0       2.3
     317.0       1.2
     329.0       4.8
     330.0       1.4
     343.0       2.8
     345.0       1.0
     357.0       1.8
     358.0       1.0
     384.0       1.4
     385.0       1.1
     386.0       7.6
     387.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₈ H₅₀	ca 10 mg : 0.5 ml CDCl₃
13,15-octacosadiyne

    Assign.     Shift(ppm)

      A             2.240
      B             1.51
      C             1.37
      D             1.28
      E             1.26
      F             0.881

     Hz     ppm     Int.

    902.47   2.259     66
    895.39   2.241    169
    888.31   2.223     74
    612.06   1.532     40
    611.45   1.530     39
    604.98   1.514     55
    604.37   1.513     57
    597.05   1.494     53
    554.69   1.388     31
    553.83   1.386     30
    548.22   1.372     36
    547.85   1.371     37
    547.24   1.370     37
    546.26   1.367     38
    545.78   1.366     38
    520.02   1.302     45
    518.31   1.297     39
    502.69   1.258   1000
    359.13   0.899     94
    352.42   0.882    309
    345.34   0.865    117

in CDCl3

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