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3-(1,3-Dioxo-1,3-dihydroisoindolo-2-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-oxoazetidine-2-carboxylic acid methyl ester
SpectraBase Compound ID J5CVj9hFIdS
InChI InChI=1S/C22H20N2O6/c1-12(13-8-10-14(29-2)11-9-13)23-18(22(28)30-3)17(21(23)27)24-19(25)15-6-4-5-7-16(15)20(24)26/h4-12,17-18H,1-3H3/t12?,17-,18-/m0/s1
InChIKey LFXJCHZEKCJAJH-MIIWOSQWSA-N
Mol Weight 408.41 g/mol
Molecular Formula C22H20N2O6
Exact Mass 408.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWfMqyiPaOz
Name 3-(1,3-Dioxo-1,3-dihydroisoindolo-2-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-oxoazetidine-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O6
InChI InChI=1S/C22H20N2O6/c1-12(13-8-10-14(29-2)11-9-13)23-18(22(28)30-3)17(21(23)27)24-19(25)15-6-4-5-7-16(15)20(24)26/h4-12,17-18H,1-3H3/t12?,17-,18-/m0/s1
InChIKey LFXJCHZEKCJAJH-MIIWOSQWSA-N
Molecular Weight 408.410 g/mol
SMILES [C@@]1(N2C(c3ccccc3C2=O)=O)([C@@](C(=O)OC)(N(C1=O)C(c1ccc(cc1)OC)C)[H])[H]
SPLASH splash10-000i-0900000000-403a2dccf2098ae94882
Source of Spectrum F-54-11513-6
Synonyms 3-(1,3-Dioxo-1,3-dihydroisoindolo-2-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-oxoazetidine-2-carboxylic acid methyl ester isomer (S)-3-((S)-1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-1-[1-(4-methoxy-phenyl)-ethyl]-4-oxo-azetidine-2-carboxylic acid methyl ester Methyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-oxo-2-azetidinecarboxylate
Wiley ID 808882