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4-Hydroxy-3-[1-(3-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one Oxime
SpectraBase Compound ID Hgb4gRmJaFO
InChI InChI=1S/C19H16N2O6/c1-11(20-24)9-15(12-5-4-6-13(10-12)21(25)26)17-18(22)14-7-2-3-8-16(14)27-19(17)23/h2-8,10,15,22,24H,9H2,1H3/b20-11+
InChIKey BJAUYVDFXHVBIS-RGVLZGJSSA-N
Mol Weight 368.35 g/mol
Molecular Formula C19H16N2O6
Exact Mass 368.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zAh9d03KC
Name 4-Hydroxy-3-[1-(3-nitrophenyl)-3-oxobutyl]-2H-1-benzopyran-2-one Oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O6
InChI InChI=1S/C19H16N2O6/c1-11(20-24)9-15(12-5-4-6-13(10-12)21(25)26)17-18(22)14-7-2-3-8-16(14)27-19(17)23/h2-8,10,15,22,24H,9H2,1H3/b20-11+
InChIKey BJAUYVDFXHVBIS-RGVLZGJSSA-N
Literature Reference DOI 10.1002_(SICI)1521-4184(19997)332_7_243
Molecular Weight 368.345 g/mol
SMILES O\N=C\(CC(C=1C(Oc2c(C1O)cccc2)=O)c1cccc(c1)[N+](=O)[O-])C
SPLASH splash10-022c-5950000000-8d1a6dd56832c2fc5364
Source of Spectrum APP-332-247-4
Synonyms (E)-4-hydroxy-3-(3-(hydroxyimino)-1-(3-nitrophenyl)butyl)-2H-chromen-2-one 4-Hydroxy-3-[(3E)-3-hydroxyimino-1-(3-nitrophenyl)butyl]-1-benzopyran-2-one 4-Hydroxy-3-[(3E)-3-hydroxyimino-1-(3-nitrophenyl)butyl]chromen-2-one 3-[(3E)-3-hydroxyimino-1-(3-nitrophenyl)butyl]-4-oxidanyl-chromen-2-one
Wiley ID 1770345