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3-(4'-methoxyphenyl)-6-nitrocoumarin
SpectraBase Compound ID GJylpi3sET
InChI InChI=1S/C16H11NO5/c1-21-13-5-2-10(3-6-13)14-9-11-8-12(17(19)20)4-7-15(11)22-16(14)18/h2-9H,1H3
InChIKey XBBKUDGSXITMSM-UHFFFAOYSA-N
Mol Weight 297.27 g/mol
Molecular Formula C16H11NO5
Exact Mass 297.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CcwnwKVvh0
Name 3-(4'-methoxyphenyl)-6-nitrocoumarin
Alternate Name(s) 3-(4-Methoxyphenyl)-6-nitro-2H-chromen-2-one 3-(4-Methoxyphenyl)-6-nitro-1-benzopyran-2-one 3-(4-Methoxyphenyl)-6-nitrochromen-2-one 3-(4-Methoxyphenyl)-6-nitro-chromen-2-one
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Formula C16H11NO5
InChI InChI=1S/C16H11NO5/c1-21-13-5-2-10(3-6-13)14-9-11-8-12(17(19)20)4-7-15(11)22-16(14)18/h2-9H,1H3
InChIKey XBBKUDGSXITMSM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201300048
Molecular Weight 297.266 g/mol
SMILES C1(Oc2ccc(cc2C=C1c1ccc(cc1)OC)[N+](=O)[O-])=O
SPLASH splash10-00r2-7690000000-858fefb22c111c750141
Source of Spectrum CMC-8-964-15
Wiley ID 1772911