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Methyl 4-(5-formyl-2-methoxyphenoxy)-3-nitrobenzoate
SpectraBase Compound ID BxjaIzHQzOV
InChI InChI=1S/C16H13NO7/c1-22-14-5-3-10(9-18)7-15(14)24-13-6-4-11(16(19)23-2)8-12(13)17(20)21/h3-9H,1-2H3
InChIKey RCSMJWVYFIQGJX-UHFFFAOYSA-N
Mol Weight 331.28 g/mol
Molecular Formula C16H13NO7
Exact Mass 331.069202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4yMj6Vd1wD
Name methyl 4-(5-formyl-2-methoxyphenoxy)-3-nitrobenzoate
Comments Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718239
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Formula C16H13NO7
InChI InChI=1S/C16H13NO7/c1-22-14-5-3-10(9-18)7-15(14)24-13-6-4-11(16(19)23-2)8-12(13)17(20)21/h3-9H,1-2H3
InChIKey RCSMJWVYFIQGJX-UHFFFAOYSA-N
Molecular Weight 331.280 g/mol
SMILES c1(N(=O)=O)c(Oc2c(ccc(c2)C=O)OC)ccc(c1)C(=O)OC
SPLASH splash10-0uea-9400000000-90d412426d03189fa6cc
Source of Spectrum U1-1998-883-25
Synonyms 4-(5-formyl-2-methoxyphenoxy)-3-nitrobenzoic acid methyl ester methyl 4-(5-formyl-2-methoxy-phenoxy)-3-nitro-benzoate methyl 4-(5-methanoyl-2-methoxy-phenoxy)-3-nitro-benzoate
Wiley ID 751203