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anti-9,10-bis(3-cyano-2-methylphenyl)-phenanthrene
SpectraBase Compound ID Kx7by7q9itT
InChI InChI=1S/C30H20N2/c1-19-21(17-31)9-7-15-23(19)29-27-13-5-3-11-25(27)26-12-4-6-14-28(26)30(29)24-16-8-10-22(18-32)20(24)2/h3-16H,1-2H3
InChIKey HXEBFUNWLWMLCP-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C30H20N2
Exact Mass 408.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3RKm5Sn8wy
Name anti-9,10-bis(3-cyano-2-methylphenyl)-phenanthrene
Alternate Name(s) syn-9,10-bis(3-cyano-2-methylphenyl)-phenanthrene 3-[10-(3-cyano-2-methylphenyl)-9-phenanthryl]-2-methylbenzonitrile
CAS Registry Number 122741-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H20N2
InChI InChI=1S/C30H20N2/c1-19-21(17-31)9-7-15-23(19)29-27-13-5-3-11-25(27)26-12-4-6-14-28(26)30(29)24-16-8-10-22(18-32)20(24)2/h3-16H,1-2H3
InChIKey HXEBFUNWLWMLCP-UHFFFAOYSA-N
Molecular Weight 408.504 g/mol
SMILES c1(c(-c2c(c(C#N)ccc2)C)c2ccccc2c2c1cccc2)-c1c(c(C#N)ccc1)C
SPLASH splash10-0a4i-0012900000-70491f636ac062d1611e
Source of Spectrum J-54-4590-0
Wiley ID 1373202