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Ethyl 2-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-3-oxobutanoate
SpectraBase Compound ID Ln8pdC0VBls
InChI InChI=1S/C22H19NO8/c1-3-30-21(26)17(12(2)24)18(13-7-6-8-14(11-13)23(28)29)19-20(25)15-9-4-5-10-16(15)31-22(19)27/h4-11,17-18,25H,3H2,1-2H3
InChIKey JHBSZXNSPBPDEC-UHFFFAOYSA-N
Mol Weight 425.39 g/mol
Molecular Formula C22H19NO8
Exact Mass 425.111067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cwiqq9euaZI
Name Ethyl 2-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-3-oxobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO8
InChI InChI=1S/C22H19NO8/c1-3-30-21(26)17(12(2)24)18(13-7-6-8-14(11-13)23(28)29)19-20(25)15-9-4-5-10-16(15)31-22(19)27/h4-11,17-18,25H,3H2,1-2H3
InChIKey JHBSZXNSPBPDEC-UHFFFAOYSA-N
Molecular Weight 425.393 g/mol
SMILES OC1=C(C(Oc2ccccc12)=O)C(c1cc(ccc1)N(=O)=O)C(C(=O)OCC)C(C)=O
SPLASH splash10-0095-3391000000-6abe0318eb566d682c5d
Source of Spectrum F2-43-704-SS21
Synonyms 2-[(4-hydroxy-2-oxo-1-benzopyran-3-yl)-(3-nitrophenyl)methyl]-3-oxobutanoic acid ethyl ester Ethyl 2-[(4-hydroxy-2-oxochromen-3-yl)-(3-nitrophenyl)methyl]-3-oxobutanoate Ethyl 2-[(4-hydroxy-2-oxo-chromen-3-yl)-(3-nitrophenyl)methyl]-3-oxo-butanoate Ethyl 2-[(3-nitrophenyl)-(4-oxidanyl-2-oxidanylidene-chromen-3-yl)methyl]-3-oxidanylidene-butanoate
Wiley ID 1715854