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2(5H)-Oxepinone, 3-(4-nitrophenyl)-7-phenyl-
SpectraBase Compound ID 8MOmAffhl98
InChI InChI=1S/C18H13NO4/c20-18-16(13-9-11-15(12-10-13)19(21)22)7-4-8-17(23-18)14-5-2-1-3-6-14/h1-3,5-12H,4H2
InChIKey QDOPTHXLZNBLFR-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 EyBKLRx2NjL
Name 2(5H)-Oxepinone, 3-(4-nitrophenyl)-7-phenyl-
CAS Registry Number 98386-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NO4
InChI InChI=1S/C18H13NO4/c20-18-16(13-9-11-15(12-10-13)19(21)22)7-4-8-17(23-18)14-5-2-1-3-6-14/h1-3,5-12H,4H2
InChIKey QDOPTHXLZNBLFR-UHFFFAOYSA-N
Molecular Weight 307.305 g/mol
SMILES c1ccc(cc1)C1=CCC=C(c2ccc(cc2)N(=O)=O)C(=O)O1
SPLASH splash10-0a4i-2910000000-ec10c4e320561a701c5d
Source of Spectrum NP-10-5023-0
Synonyms 3-(4-Nitrophenyl)-7-phenyl-2(5H)-oxepinone 6-(4-nitrophenyl)-2-phenyl-4H-oxepin-7-one
Wiley ID 1108942