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Methyl 2-(5-diethoxymethyl-4-hydroxy-4-methoxycarbonyl-1,3-perhydrothiazine-2-ylidene)-2-phthalimidoethanoate
SpectraBase Compound ID 4SHsNieC2sn
InChI InChI=1S/C22H26N2O9S/c1-5-32-20(33-6-2)14-11-34-16(23-22(14,29)21(28)31-4)15(19(27)30-3)24-17(25)12-9-7-8-10-13(12)18(24)26/h7-10,14,20,23,29H,5-6,11H2,1-4H3/b16-15-
InChIKey HCNBUZBCOWFGPD-NXVVXOECSA-N
Mol Weight 494.52 g/mol
Molecular Formula C22H26N2O9S
Exact Mass 494.135902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IU4SRj8soxZ
Name Methyl 2-(5-diethoxymethyl-4-hydroxy-4-methoxycarbonyl-1,3-perhydrothiazine-2-ylidene)-2-phthalimidoethanoate
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Formula C22H26N2O9S
InChI InChI=1S/C22H26N2O9S/c1-5-32-20(33-6-2)14-11-34-16(23-22(14,29)21(28)31-4)15(19(27)30-3)24-17(25)12-9-7-8-10-13(12)18(24)26/h7-10,14,20,23,29H,5-6,11H2,1-4H3/b16-15-
InChIKey HCNBUZBCOWFGPD-NXVVXOECSA-N
Molecular Weight 494.515 g/mol
SMILES N1\C(SCC(C1(C(=O)OC)O)C(OCC)OCC)=C/(N1C(c2ccccc2C1=O)=O)C(=O)OC
SPLASH splash10-0fc0-5901100000-1a695479b4dc31e489e1
Source of Spectrum F-50-12618-3
Synonyms Methyl (2Z)-5-(diethoxymethyl)-2-[1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-methoxy-2-oxoethylidene]-4-hydroxytetrahydro-2H-1,3-thiazine-4-carboxylate
Wiley ID 790031