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1H-Isoindole-1,3(2H)-dione, 2-[2-(2-bromoethoxy)-1-(4-methoxyphenyl)-4-oxo-3-azetidinyl]-, trans-
SpectraBase Compound ID HCZVYlfgUk1
InChI InChI=1S/C20H17BrN2O5/c1-27-13-8-6-12(7-9-13)22-19(26)16(20(22)28-11-10-21)23-17(24)14-4-2-3-5-15(14)18(23)25/h2-9,16,20H,10-11H2,1H3/t16-,20+/m0/s1
InChIKey KRMURGOJFGFZDN-OXJNMPFZSA-N
Mol Weight 445.27 g/mol
Molecular Formula C20H17BrN2O5
Exact Mass 444.032085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUU4QQSBUYp
Name 1H-Isoindole-1,3(2H)-dione, 2-[2-(2-bromoethoxy)-1-(4-methoxyphenyl)-4-oxo-3-azetidinyl]-, trans-
CAS Registry Number 127756-75-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17BrN2O5
InChI InChI=1S/C20H17BrN2O5/c1-27-13-8-6-12(7-9-13)22-19(26)16(20(22)28-11-10-21)23-17(24)14-4-2-3-5-15(14)18(23)25/h2-9,16,20H,10-11H2,1H3/t16-,20+/m0/s1
InChIKey KRMURGOJFGFZDN-OXJNMPFZSA-N
Molecular Weight 445.269 g/mol
SMILES [C@@]1(N2C(c3ccccc3C2=O)=O)(C(=O)N([C@@]1(OCCBr)[H])c1ccc(cc1)OC)[H]
SPLASH splash10-0002-0950000000-b1cedee387b1806887d2
Source of Spectrum KC-1990-281-5
Synonyms 2-[(2R,3R)-2-(2-bromoethoxy)-1-(4-methoxyphenyl)-4-oxoazetidinyl]-1H-isoindole-1,3(2H)-dione trans-4-(2-bromoethoxy)-1-(4-methoxyphenyl)-3-phthalimi-doazetidin-2-one
Wiley ID 1385880