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Diethyl 4-Methoxy[1-13C]benzylphthalimidomelonate
SpectraBase Compound ID 4TM6ZEmIQUy
InChI InChI=1S/C23H23NO7/c1-4-30-21(27)23(22(28)31-5-2,14-15-10-12-16(29-3)13-11-15)24-19(25)17-8-6-7-9-18(17)20(24)26/h6-13H,4-5,14H2,1-3H3/i15+1
InChIKey GFHPLCWPIFHENS-XPOOIHDOSA-N
Mol Weight 426.43 g/mol
Molecular Formula C2213CH23NO7
Exact Mass 426.150807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAAlVIxCOlF
Name Diethyl 4-Methoxy[1-13C]benzylphthalimidomelonate
Alternate Name(s) 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-methoxy-benzyl)-malonic acid diethyl ester
Comments Original formula: C22[13C]H23NO7
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Formula C23H23NO7
InChI InChI=1S/C23H23NO7/c1-4-30-21(27)23(22(28)31-5-2,14-15-10-12-16(29-3)13-11-15)24-19(25)17-8-6-7-9-18(17)20(24)26/h6-13H,4-5,14H2,1-3H3/i15+1
InChIKey GFHPLCWPIFHENS-XPOOIHDOSA-N
Molecular Weight 426.429 g/mol
SMILES C(N1C(c2ccccc2C1=O)=O)(C(=O)OCC)(C(=O)OCC)C[13c]1ccc(cc1)OC
SPLASH splash10-00b9-0890000000-527c40ff72b4db4ada8f
Source of Spectrum SO-0-1050-13
Wiley ID 875586