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Tetrabenzo[b,d,f,h]oxonine-6-carbonitrile
SpectraBase Compound ID D68DElLBxhs
InChI InChI=1S/C25H15NO/c26-16-17-13-14-25-23(15-17)21-10-4-2-8-19(21)18-7-1-3-9-20(18)22-11-5-6-12-24(22)27-25/h1-15H
InChIKey JZXKKIUYZVVBSR-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C25H15NO
Exact Mass 345.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OCAvECIU8M
Name Tetrabenzo[b,d,f,h]oxonine-6-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H15NO
InChI InChI=1S/C25H15NO/c26-16-17-13-14-25-23(15-17)21-10-4-2-8-19(21)18-7-1-3-9-20(18)22-11-5-6-12-24(22)27-25/h1-15H
InChIKey JZXKKIUYZVVBSR-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612535
Molecular Weight 345.401 g/mol
Quality 84
Reported Formula C25H15NO
SMILES C1=2C3=C(OC4=C(C5=C(C2C=CC=C1)C=CC=C5)C=C(C=C4)C#N)C=CC=C3
SPLASH splash10-002e-0009000000-cf9f129c7a47f3395f79
Source of Spectrum ACI-56-SM28-6g (DOI: 10.1002/anie.201612535)
Thin-Layer Chromatography 0.29 (Hexane/EtOAc, 10:1)
Wiley ID 1892885