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Ethyl 2-[N-(ethoxy)(diethoxycarbonyl)methyl]-amino-6-nitrobenzoate
SpectraBase Compound ID 97147MTTS3k
InChI InChI=1S/C18H24N2O9/c1-5-26-15(21)14-12(10-9-11-13(14)20(24)25)19-18(29-8-4,16(22)27-6-2)17(23)28-7-3/h9-11,19H,5-8H2,1-4H3
InChIKey PLJJXTJCKVXDEU-UHFFFAOYSA-N
Mol Weight 412.4 g/mol
Molecular Formula C18H24N2O9
Exact Mass 412.14818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8skJ6v6q8UH
Name Ethyl 2-[N-(ethoxy)(diethoxycarbonyl)methyl]-amino-6-nitrobenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C18H24N2O9
InChI InChI=1S/C18H24N2O9/c1-5-26-15(21)14-12(10-9-11-13(14)20(24)25)19-18(29-8-4,16(22)27-6-2)17(23)28-7-3/h9-11,19H,5-8H2,1-4H3
InChIKey PLJJXTJCKVXDEU-UHFFFAOYSA-N
Molecular Weight 412.395 g/mol
SMILES N(C(C(=O)OCC)(C(=O)OCC)OCC)c1c(c(N(=O)=O)ccc1)C(=O)OCC
SPLASH splash10-014i-0090000000-0db576aae41bf130675d
Source of Spectrum I-80-196-7
Synonyms diethyl 2-ethoxy-2-[2-(ethoxycarbonyl)-3-nitroanilino]malonate
Wiley ID 1517187