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1H-Isoindole-1,3(2H)-dione, 2-[2-(benzoyloxy)-1-(4-methoxyphenyl)-4-oxo-3-azetidinyl]-, trans-
SpectraBase Compound ID 9mZwf4d49iR
InChI InChI=1S/C25H18N2O6/c1-32-17-13-11-16(12-14-17)26-23(30)20(24(26)33-25(31)15-7-3-2-4-8-15)27-21(28)18-9-5-6-10-19(18)22(27)29/h2-14,20,24H,1H3/t20-,24+/m0/s1
InChIKey BREHZFMFABTZTG-GBXCKJPGSA-N
Mol Weight 442.43 g/mol
Molecular Formula C25H18N2O6
Exact Mass 442.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YQXuTuYx6G
Name 1H-Isoindole-1,3(2H)-dione, 2-[2-(benzoyloxy)-1-(4-methoxyphenyl)-4-oxo-3-azetidinyl]-, trans-
CAS Registry Number 127756-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18N2O6
InChI InChI=1S/C25H18N2O6/c1-32-17-13-11-16(12-14-17)26-23(30)20(24(26)33-25(31)15-7-3-2-4-8-15)27-21(28)18-9-5-6-10-19(18)22(27)29/h2-14,20,24H,1H3/t20-,24+/m0/s1
InChIKey BREHZFMFABTZTG-GBXCKJPGSA-N
Molecular Weight 442.427 g/mol
SMILES [C@@]1(N2C(c3ccccc3C2=O)=O)(C(=O)N([C@@]1(OC(=O)c1ccccc1)[H])c1ccc(cc1)OC)[H]
SPLASH splash10-0a4i-0900000000-991774d68e315b37fd7f
Source of Spectrum KC-1990-280-4
Synonyms (2R,3R)-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-(4-methoxyphenyl)-4-oxoazetidinyl benzoate trans-benzoyloxy-1-(4-methoxyphenyl)-3-phthalimidoazetidin-2-one
Wiley ID 1385357