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2-Pyridinecarboxylic acid, 5-amino-4-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]-6-[(dimethoxyphosph inyl)acetyl]-3-methyl-, methyl ester
SpectraBase Compound ID L8K4ddCdK62
InChI InChI=1S/C27H31N2O9P/c1-16-21(22(28)24(29-23(16)27(31)35-4)19(30)15-39(32,36-5)37-6)18-12-13-20(33-2)26(34-3)25(18)38-14-17-10-8-7-9-11-17/h7-13H,14-15,28H2,1-6H3
InChIKey STURVQSSXXNVFJ-UHFFFAOYSA-N
Mol Weight 558.52 g/mol
Molecular Formula C27H31N2O9P
Exact Mass 558.176718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNwlBXzmXRy
Name 2-Pyridinecarboxylic acid, 5-amino-4-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]-6-[(dimethoxyphosph inyl)acetyl]-3-methyl-, methyl ester
CAS Registry Number 79953-21-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N2O9P
InChI InChI=1S/C27H31N2O9P/c1-16-21(22(28)24(29-23(16)27(31)35-4)19(30)15-39(32,36-5)37-6)18-12-13-20(33-2)26(34-3)25(18)38-14-17-10-8-7-9-11-17/h7-13H,14-15,28H2,1-6H3
InChIKey STURVQSSXXNVFJ-UHFFFAOYSA-N
Molecular Weight 558.524 g/mol
SMILES Nc1c(C(CP(=O)(OC)OC)=O)nc(c(c1-c1c(c(OC)c(cc1)OC)OCc1ccccc1)C)C(=O)OC
SPLASH splash10-0a4i-0000390000-83712a8e177610f6988c
Source of Spectrum C-104-542-0
Synonyms Methyl 5-amino-4-(3,4-dimethoxy-2-(phenylmethoxy)phenyl)-6-((dimethoxyphosphinyl)acetyl)-3-methyl-2-pyridinecarboxylate Methyl 5-amino-4-[2-(benzyloxy)-3,4-dimethoxyphenyl]-6-[(dimethoxyphosphoryl)acetyl]-3-methyl-2-pyridinecarboxylate
Wiley ID 1406547