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2(5H)-Oxepinone, 7-(4-nitrophenyl)-3-phenyl-
SpectraBase Compound ID DHgF3QhQYJW
InChI InChI=1S/C18H13NO4/c20-18-16(13-5-2-1-3-6-13)7-4-8-17(23-18)14-9-11-15(12-10-14)19(21)22/h1-3,5-12H,4H2
InChIKey DUYKAWKCSZNCDB-UHFFFAOYSA-N
Mol Weight 307.31 g/mol
Molecular Formula C18H13NO4
Exact Mass 307.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Go1Hq0Fdogn
Name 2(5H)-Oxepinone, 7-(4-nitrophenyl)-3-phenyl-
CAS Registry Number 98386-56-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NO4
InChI InChI=1S/C18H13NO4/c20-18-16(13-5-2-1-3-6-13)7-4-8-17(23-18)14-9-11-15(12-10-14)19(21)22/h1-3,5-12H,4H2
InChIKey DUYKAWKCSZNCDB-UHFFFAOYSA-N
Molecular Weight 307.305 g/mol
SMILES c1ccc(cc1)C1=CCC=C(c2ccc(cc2)N(=O)=O)OC1=O
SPLASH splash10-0ufr-0922000000-649a3f78ac651ee02836
Source of Spectrum K-118-2967-42
Synonyms 7-(4-Nitrophenyl)-3-phenyl-2(5H)-oxepinone 2-(4-nitrophenyl)-6-phenyl-4H-oxepin-7-one
Wiley ID 1309005