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Dibenzo[b,f]naphtho[2,3-d]oxepine-7-carbonitrile
SpectraBase Compound ID Kur3qF120Ja
InChI InChI=1S/C23H13NO/c24-14-15-9-10-23-21(11-15)20-13-17-6-2-1-5-16(17)12-19(20)18-7-3-4-8-22(18)25-23/h1-13H
InChIKey IJEUULMNPVWDAF-UHFFFAOYSA-N
Mol Weight 319.36 g/mol
Molecular Formula C23H13NO
Exact Mass 319.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgSJkQBRZj9
Name Dibenzo[b,f]naphtho[2,3-d]oxepine-7-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.099714042 u
Formula C23H13NO
InChI InChI=1S/C23H13NO/c24-14-15-9-10-23-21(11-15)20-13-17-6-2-1-5-16(17)12-19(20)18-7-3-4-8-22(18)25-23/h1-13H
InChIKey IJEUULMNPVWDAF-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612535
Molecular Weight 319.363 g/mol
Reported Formula C23H13NO
SMILES C1=C2C(=CC=3C4=C(OC5=C(C13)C=CC=C5)C=CC(=C4)C#N)C=CC=C2
SPLASH splash10-014i-0049000000-c2d19f5b3a392f0b463a
Source of Spectrum ACI-56-SM26-6c (DOI: 10.1002/anie.201612535)
Thin-Layer Chromatography 0.23 (Hexane/EtOAc, 10:1)
Wiley ID 1892882