4,5,9,10-TETRAHYDROPYRENE(781-17-9) ¹³C NMR

Product Name4,5,9,10-TETRAHYDROPYRENE

CAS 781-17-9

Molecular FormulaC16H14

Molecular Weight206.28

InChIInChI=1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10H2

InChIKey XDFUNRTWHPWCKO-UHFFFAOYSA-N

SmilesC1=C2C3C4=C(CC2)C=CC=C4CCC=3C=C1

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Mass

MS-IW-6945          
4,5,9,10-tetrahydropyrene
C16H14              (Mass of molecular ion:    206)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      63.0       1.0
      75.0       2.1
      76.0       3.8
      87.0       2.9
      88.0       8.9
      88.5       1.3
      89.0      15.8
      89.5       2.5
      94.0       1.3
      94.5       6.0
      95.0       6.5
      95.5       1.8
      99.0       1.6
      99.5       1.9
     100.0      13.2
     100.5       5.7
     101.0      31.6
     101.5       8.1
     102.0       8.6
     102.5       2.7
     103.0       4.6
     150.0       1.3
     151.0       1.3
     152.0       1.6
     165.0       7.1
     166.0       1.0
     174.0       1.3
     175.0       1.2
     176.0       2.1
     177.0       1.1
     178.0       7.6
     179.0       2.0
     189.0      11.4
     190.0       9.5
     191.0       8.4
     192.0       1.2
     198.0       1.2
     199.0       2.0
     200.0      11.6
     201.0      11.7
     202.0      60.3
     203.0      48.0
     204.0      33.2
     205.0      55.3
     206.0     100.0
     207.0      16.7
     208.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₄	18.9 mg : 0.5 ml CDCl₃
4,5,9,10-tetrahydropyrene

    Assign.     Shift(ppm)

      A             7.112
      B             7.068
      C             2.870

     Hz     ppm     Int.

   2852.05   7.137     45
   2846.19   7.122     67
   2843.38   7.115     90
   2837.52   7.101    181
   2826.90   7.074    273
   2820.56   7.058     87
   2818.48   7.053     75
   1147.09   2.871   1000

in CDCl3