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1,3-Propanedione, 1-(4-methoxyphenyl)-3-(4-nitrophenyl)-
SpectraBase Compound ID IsCx6E0Sw5g
InChI InChI=1S/C16H13NO5/c1-22-14-8-4-12(5-9-14)16(19)10-15(18)11-2-6-13(7-3-11)17(20)21/h2-9H,10H2,1H3
InChIKey SDBZUDCLSHEYEN-UHFFFAOYSA-N
Mol Weight 299.28 g/mol
Molecular Formula C16H13NO5
Exact Mass 299.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iqebq0ndYz
Name 1,3-Propanedione, 1-(4-methoxyphenyl)-3-(4-nitrophenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO5
InChI InChI=1S/C16H13NO5/c1-22-14-8-4-12(5-9-14)16(19)10-15(18)11-2-6-13(7-3-11)17(20)21/h2-9H,10H2,1H3
InChIKey SDBZUDCLSHEYEN-UHFFFAOYSA-N
Molecular Weight 299.282 g/mol
SMILES COc1ccc(C(CC(c2ccc(N(=O)=O)cc2)=O)=O)cc1
SPLASH splash10-0002-3890000000-7a141b9dc6e4002fb05d
Synonyms 1-(4-Methoxyphenyl)-3-(4-nitrophenyl)propane-1,3-dione
Wiley ID 1450044