十二氫苯并菲(1610-39-5)質(zhì)譜(MS)

產(chǎn)品名稱:十二氫苯并菲

CAS:1610-39-5

分子式:C18H24

分子量: 240.38

InChI:InChI=1S/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2

InChIKey: ODHYDPYRIQKHCI-UHFFFAOYSA-N

Smiles:C1C2=C(C3=C(C4=C2CCCC4)CCCC3)CCC1

Mass

MS-NW-3282          
1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
C18H24              (Mass of molecular ion:    240)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.7
      27.0       1.8
      29.0       2.8
      39.0       2.6
      41.0       4.0
      51.0       1.7
      53.0       1.4
      55.0       2.5
      63.0       1.4
      65.0       1.7
      67.0       1.2
      76.0       2.3
      77.0       3.6
      78.0       1.0
      79.0       1.2
      82.0       1.4
      82.5       1.5
      83.0       2.3
      84.0       1.2
      89.0       3.6
      90.0       1.6
      91.0       4.6
      98.0       1.0
      99.0       2.1
     105.0       1.0
     106.0       1.1
     115.0       5.2
     116.0       1.3
     117.0       1.2
     120.0       1.5
     127.0       1.7
     128.0       5.9
     129.0       5.2
     130.0       1.1
     131.0       1.1
     139.0       1.1
     141.0      10.4
     142.0       4.2
     143.0       4.2
     144.0       1.2
     152.0       4.3
     153.0       6.2
     154.0       4.2
     155.0       9.0
     156.0       3.6
     157.0       3.9
     158.0       1.2
     165.0       6.8
     166.0       3.5
     167.0       6.8
     168.0       3.8
     169.0       9.5
     170.0       3.7
     171.0       2.8
     178.0       2.5
     179.0       2.4
     180.0       1.5
     181.0       3.9
     182.0       3.8
     183.0      20.0
     184.0       8.9
     185.0       6.3
     186.0       1.1
     195.0       2.1
     196.0       1.3
     197.0      16.3
     198.0      27.0
     199.0      23.0
     200.0       3.7
     211.0      16.7
     212.0      23.9
     213.0       4.3
     225.0       4.0
     239.0       5.7
     240.0     100.0
     241.0      19.4
     242.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₂₄	0.048 g : 0.5 ml CDCl₃
1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene

    Assign.     Shift(ppm)

      A             2.57
      B             1.78

     Hz     ppm     Int.

   1052.61   2.634     27
   1033.94   2.588    429
   1027.59   2.572    996
   1021.12   2.556    380
    734.50   1.838     26
    715.70   1.791    454
    711.79   1.782    723
    709.35   1.775   1000
    707.03   1.770    658
    703.00   1.760    356

in CDCl3