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(E)-(+)-(2S,1''R,2''S)-1-{1-(4-Bromophenyl)-2-[2-(Methoxycarbonyl)cyclopentyl]ethylidenamino}-2-(methoxymethyl)pyrrolidine

View entire compound with spectra: 1 MS (GC)

(E)-(+)-(2S,1''R,2''S)-1-{1-(4-Bromophenyl)-2-[2-(Methoxycarbonyl)cyclopentyl]ethylidenamino}-2-(methoxymethyl)pyrrolidine
SpectraBase Compound ID Ew4as1y2eSj
InChI InChI=1S/C21H29BrN2O3/c1-26-14-18-6-4-12-24(18)23-20(15-8-10-17(22)11-9-15)13-16-5-3-7-19(16)21(25)27-2/h8-11,16,18-19H,3-7,12-14H2,1-2H3/b23-20+/t16-,18+,19+/m1/s1
InChIKey QXMPPMKWWKLCGQ-KQNWYDKCSA-N
Mol Weight 437.38 g/mol
Molecular Formula C21H29BrN2O3
Exact Mass 436.136156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOeBwCruKHa
Name (E)-(+)-(2S,1''R,2''S)-1-{1-(4-Bromophenyl)-2-[2-(Methoxycarbonyl)cyclopentyl]ethylidenamino}-2-(methoxymethyl)pyrrolidine
Alternate Name(s) Methyl (1S,2R)-2-((E)-2-(4-bromophenyl)-2-(((S)-2-(methoxymethyl)pyrrolidin-1-yl)imino)ethyl)cyclopentane-1-carboxylate
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Formula C21H29BrN2O3
InChI InChI=1S/C21H29BrN2O3/c1-26-14-18-6-4-12-24(18)23-20(15-8-10-17(22)11-9-15)13-16-5-3-7-19(16)21(25)27-2/h8-11,16,18-19H,3-7,12-14H2,1-2H3/b23-20+/t16-,18+,19+/m1/s1
InChIKey QXMPPMKWWKLCGQ-KQNWYDKCSA-N
Literature Reference DOI 10.1002/cber.19931260825
Molecular Weight 437.378 g/mol
SMILES C1[C@@]([C@](CC1)(C\C(c1ccc(cc1)Br)=N/N1[C@@](CCC1)(COC)[H])[H])(C(=O)OC)[H]
SPLASH splash10-0006-3009000000-6d1507eb02306808a040
Source of Spectrum K-126-1935-8e
Wiley ID 1793109