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2-[4'-(9"-Anthracenyl)phenyl]-1,8a-dihydro-1,1-azulene-dicarbonitrile
SpectraBase Compound ID DBnzuEA17Jt
InChI InChI=1S/C32H20N2/c33-20-32(21-34)29-13-3-1-2-10-26(29)19-30(32)22-14-16-23(17-15-22)31-27-11-6-4-8-24(27)18-25-9-5-7-12-28(25)31/h1-19,29H
InChIKey AYXCVMPDAAOOOS-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C32H20N2
Exact Mass 432.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60KjciMA3z4
Name 2-[4'-(9"-Anthracenyl)phenyl]-1,8a-dihydro-1,1-azulene-dicarbonitrile
Alternate Name(s) 2-[4'-(9''-Anthracenyl)phenyl]-1,8a-dihydro-3-methoxy-1,1-azulene-dicarbonitrile 2-[4'-(9''-Anthracenyl)phenyl]-1,8a-dihydro-1,1-azulene-dicarbonitrile 2-[4-(9-anthryl)phenyl]-1,1(8aH)-azulenedicarbonitrile DHA-1 (Dihydroazulene chromophore)
Comments Less than 3 mono-isotopic peaks
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Formula C32H20N2
InChI InChI=1S/C32H20N2/c33-20-32(21-34)29-13-3-1-2-10-26(29)19-30(32)22-14-16-23(17-15-22)31-27-11-6-4-8-24(27)18-25-9-5-7-12-28(25)31/h1-19,29H
InChIKey AYXCVMPDAAOOOS-UHFFFAOYSA-N
Molecular Weight 432.526 g/mol
SMILES C1(C(=CC=2C1C=CC=CC2)c1ccc(-c2c3c(cccc3)cc3c2cccc3)cc1)(C#N)C#N
SPLASH splash10-001i-0000900000-930f31e68e858adfe6d0
Source of Spectrum U-1995-1641-0
Wiley ID 767625