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4-[2'-Ethoxy-1'-(ethoxycarbonyl)-2'-iminoethyl]-6-nitrochroman-2-one
SpectraBase Compound ID 6Nnp2jgG2RG
InChI InChI=1S/C16H18N2O7/c1-3-23-15(17)14(16(20)24-4-2)11-8-13(19)25-12-6-5-9(18(21)22)7-10(11)12/h5-7,11,14,17H,3-4,8H2,1-2H3
InChIKey JKGALSPYOCOBNG-UHFFFAOYSA-N
Mol Weight 350.33 g/mol
Molecular Formula C16H18N2O7
Exact Mass 350.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 259BEJB1OvL
Name 4-[2'-Ethoxy-1'-(ethoxycarbonyl)-2'-iminoethyl]-6-nitrochroman-2-one
Alternate Name(s) 2-[2'-Ethoxy-1'-(ethoxycarbonyl)-2'-iminoethyl]-6-nitrochroman-2-one Ethyl 3-ethoxy-3-imino-2-(6-nitro-2-oxo-3,4-dihydro-2H-chromen-4-yl)propanoate
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Formula C16H18N2O7
InChI InChI=1S/C16H18N2O7/c1-3-23-15(17)14(16(20)24-4-2)11-8-13(19)25-12-6-5-9(18(21)22)7-10(11)12/h5-7,11,14,17H,3-4,8H2,1-2H3
InChIKey JKGALSPYOCOBNG-UHFFFAOYSA-N
Molecular Weight 350.327 g/mol
SMILES N=C(C(C1c2c(ccc(N(=O)=O)c2)OC(C1)=O)C(=O)OCC)OCC
SPLASH splash10-0udi-0169000000-e5ac9f5453fc813d8dd9
Source of Spectrum D8-328-56-3
Wiley ID 1515578