125-20-2

Thymolphthalein(125-20-2) IR2

Molecular FormulaC28H30O4

Molecular Weight430.54

InChIInChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3

InChIKey LDKDGDIWEUUXSH-UHFFFAOYSA-N

SmilesC1(=O)C2=C(C=CC=C2)C(C2=CC(C(C)C)=C(O)C=C2C)(C2=CC(C(C)C)=C(O)C=C2C)O1

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IR1

IR2

Thymolphthalein(125-20-2) IR2
Mass

MS-NW-9051          
thymolphthalein
C28H30O4            (Mass of molecular ion:    430)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      41.0       1.2
      43.0       3.4
      77.0       1.1
      91.0       1.4
     105.0       1.5
     133.0       1.7
     165.0       1.6
     177.0       5.3
     178.0       1.7
     195.0       1.3
     200.0       3.5
     200.5       1.0
     211.0       1.8
     221.0       1.5
     224.0       1.1
     236.0       1.2
     237.0       2.8
     239.0       8.0
     240.0       1.6
     252.0       1.6
     253.0       1.0
     265.0       1.4
     268.0       1.0
     279.0       7.2
     280.0      13.1
     281.0      13.4
     282.0       3.0
     283.0       1.2
     285.0       1.5
     286.0       1.0
     300.0       1.2
     301.0       1.9
     313.0       1.4
     327.0       2.0
     328.0       1.2
     329.0       1.0
     343.0     100.0
     344.0      26.6
     345.0       5.1
     355.0       1.1
     371.0      21.1
     372.0       6.2
     373.0       1.1
     386.0       3.0
     387.0       1.8
     415.0       1.8
     430.0      25.3
     431.0       8.1
     432.0       1.6

KBr disc