Rubrene(517-51-1) ¹³C NMR

Product NameRubrene

Molecular FormulaC42H28

Molecular Weight532.67

InChIInChI=1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H

InChIKey YYMBJDOZVAITBP-UHFFFAOYSA-N

SmilesC1=C2C(C(C3=CC=CC=C3)=C3C(=C2C2=CC=CC=C2)C(C2=CC=CC=C2)=C2C(C=CC=C2)=C3C2=CC=CC=C2)=CC=C1

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Mass

MS-NW-2763          
5,6,11,12-tetraphenylnaphthacene
C42H28              (Mass of molecular ion:    532)

   Source Temperature: 270 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      18.0       3.9
      28.0       2.5
      51.0       1.7
      77.0       2.8
      78.0       1.2
     175.0       1.1
     180.5       1.1
     181.5       1.5
     186.0       1.4
     187.0       4.9
     187.5       2.5
     188.0      26.0
     188.5      13.0
     189.0       4.0
     192.5       1.1
     193.5       1.0
     198.0       1.1
     199.0       2.4
     199.5       1.1
     200.0       1.5
     204.5       1.8
     205.0       1.0
     205.5       4.1
     206.0       2.7
     206.5       2.3
     207.0       1.5
     210.0       1.1
     211.0       3.2
     211.5       1.9
     212.0       6.9
     212.5       4.0
     213.0       4.7
     213.5       2.0
     216.5       1.4
     217.5       4.3
     218.0       3.4
     218.5       6.6
     219.0       7.0
     219.5       6.1
     220.0       2.9
     223.0       2.1
     223.5       1.1
     224.0       4.1
     224.5       2.3
     225.0       3.9
     225.5       2.5
     226.0       4.7
     226.5       4.1
     227.0      14.9
     227.5       6.9
     228.0       1.7
     229.5       1.2
     236.0       1.5
     237.0       1.2
     242.5       1.2
     243.0       1.0
     249.0       1.0
     250.0       1.0
     265.0       1.0
     266.0       4.3
     266.5       1.9
     267.0       1.1
     350.0       1.4
     363.0       2.7
     364.0       1.4
     372.0       1.0
     374.0       4.5
     375.0       3.3
     376.0      22.3
     377.0      30.7
     378.0      39.2
     379.0      11.9
     380.0       2.1
     413.0       1.1
     424.0       1.3
     425.0       1.0
     426.0       1.2
     427.0       1.2
     437.0       1.2
     439.0       2.0
     440.0       1.6
     441.0       1.0
     448.0       1.2
     449.0       1.1
     450.0       1.9
     451.0       1.9
     452.0       3.4
     453.0       7.6
     454.0      11.5
     455.0      35.5
     456.0      13.6
     457.0       3.1
     530.0       4.1
     531.0       4.4
     532.0     100.0
     533.0      47.0
     534.0      11.6
     535.0       1.9