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4-Oxo-1-(1-phenylethyl)-3-phthalimidoazetidine-2-carboxylic acid methyl ester isomer
SpectraBase Compound ID 29G33AOxKpd
InChI InChI=1S/C21H18N2O5/c1-12(13-8-4-3-5-9-13)22-17(21(27)28-2)16(20(22)26)23-18(24)14-10-6-7-11-15(14)19(23)25/h3-12,16-17H,1-2H3/t12?,16?,17-/m0/s1
InChIKey ZEYSIWRGWVBFEA-SEFLRBGSSA-N
Mol Weight 378.38 g/mol
Molecular Formula C21H18N2O5
Exact Mass 378.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zofqUMAGXL
Name 4-Oxo-1-(1-phenylethyl)-3-phthalimidoazetidine-2-carboxylic acid methyl ester isomer
Alternate Name(s) 4-Oxo-1-(1-phenylethyl)-3-phthalimidoazetidine-2-carboxylic acid methyl ester (S)-3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-oxo-1-(1-phenyl-ethyl)-azetidine-2-carboxylic acid methyl ester Methyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-oxo-1-(1-phenylethyl)-2-azetidinecarboxylate
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Formula C21H18N2O5
InChI InChI=1S/C21H18N2O5/c1-12(13-8-4-3-5-9-13)22-17(21(27)28-2)16(20(22)26)23-18(24)14-10-6-7-11-15(14)19(23)25/h3-12,16-17H,1-2H3/t12?,16?,17-/m0/s1
InChIKey ZEYSIWRGWVBFEA-SEFLRBGSSA-N
Molecular Weight 378.384 g/mol
SMILES C1(N2C(c3ccccc3C2=O)=O)[C@@](C(=O)OC)(N(C1=O)C(c1ccccc1)C)[H]
SPLASH splash10-0ue9-1590000000-828c7ec511e195201027
Source of Spectrum F-54-11511-4
Wiley ID 808895