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E-(+)-(2S,1"R,2"R)-1-{ 1'-(4'-Bromophenyl)-2'-[2"-(Methoxycarbonyl)-3-oxocyclopentyl ethylideneamino }-2-(methoxymethyl)-pyrrolidine

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E-(+)-(2S,1"R,2"R)-1-{ 1'-(4'-Bromophenyl)-2'-[2"-(Methoxycarbonyl)-3-oxocyclopentyl ethylideneamino }-2-(methoxymethyl)-pyrrolidine
SpectraBase Compound ID 5MuhpajtdR7
InChI InChI=1S/C21H27BrN2O4/c1-27-13-17-4-3-11-24(17)23-18(14-5-8-16(22)9-6-14)12-15-7-10-19(25)20(15)21(26)28-2/h5-6,8-9,15,17,20H,3-4,7,10-13H2,1-2H3/b23-18-/t15-,17+,20-/m1/s1
InChIKey UCFIAYZPUFYFBB-GUWQMMFFSA-N
Mol Weight 451.36 g/mol
Molecular Formula C21H27BrN2O4
Exact Mass 450.11542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13JZoBXet2H
Name E-(+)-(2S,1"R,2"R)-1-{ 1'-(4'-Bromophenyl)-2'-[2"-(Methoxycarbonyl)-3-oxocyclopentyl ethylideneamino }-2-(methoxymethyl)-pyrrolidine
Alternate Name(s) Methyl (1R,2R)-2-((2Z)-2-(4-bromophenyl)-2-{[(2S)-2-(methoxymethyl)pyrrolidinyl]imino}ethyl)-5-oxocyclopentanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27BrN2O4
InChI InChI=1S/C21H27BrN2O4/c1-27-13-17-4-3-11-24(17)23-18(14-5-8-16(22)9-6-14)12-15-7-10-19(25)20(15)21(26)28-2/h5-6,8-9,15,17,20H,3-4,7,10-13H2,1-2H3/b23-18-/t15-,17+,20-/m1/s1
InChIKey UCFIAYZPUFYFBB-GUWQMMFFSA-N
Molecular Weight 451.361 g/mol
SMILES [C@]1(N(\N=C\(C[C@@]2([C@@](C(=O)OC)(C(=O)CC2)[H])[H])c2ccc(cc2)Br)CCC1)(COC)[H]
SPLASH splash10-0a4i-0000900000-4e5d0be3cca72e749aef
Source of Spectrum K-126-1940-28
Wiley ID 1387607