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E-(+)-(2S,1"R,2"S)-1-{ 1'-(4"-Bromophenyl)-2'-[2"-Methoxycarbonyl)cyclohexyl ] ethylideneamino-2-(methoxymethyl) pyrrolidine
SpectraBase Compound ID ArmTuwRtc1y
InChI InChI=1S/C22H31BrN2O3/c1-27-15-19-7-5-13-25(19)24-21(16-9-11-18(23)12-10-16)14-17-6-3-4-8-20(17)22(26)28-2/h9-12,17,19-20H,3-8,13-15H2,1-2H3/b24-21-/t17-,19+,20+/m1/s1
InChIKey PCQPWPXJIUWNEC-FJVNZFBXSA-N
Mol Weight 451.41 g/mol
Molecular Formula C22H31BrN2O3
Exact Mass 450.151806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HGuUA93JuK
Name E-(+)-(2S,1"R,2"S)-1-{ 1'-(4"-Bromophenyl)-2'-[2"-Methoxycarbonyl)cyclohexyl ] ethylideneamino-2-(methoxymethyl) pyrrolidine
Alternate Name(s) Methyl (1S,2R)-2-((2Z)-2-(4-bromophenyl)-2-{[(2S)-2-(methoxymethyl)pyrrolidinyl]imino}ethyl)cyclohexanecarboxylate
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Formula C22H31BrN2O3
InChI InChI=1S/C22H31BrN2O3/c1-27-15-19-7-5-13-25(19)24-21(16-9-11-18(23)12-10-16)14-17-6-3-4-8-20(17)22(26)28-2/h9-12,17,19-20H,3-8,13-15H2,1-2H3/b24-21-/t17-,19+,20+/m1/s1
InChIKey PCQPWPXJIUWNEC-FJVNZFBXSA-N
Molecular Weight 451.405 g/mol
SMILES [C@]1(N(\N=C\(C[C@@]2([C@@](C(=O)OC)(CCCC2)[H])[H])c2ccc(cc2)Br)CCC1)(COC)[H]
SPLASH splash10-0a4i-2101900000-864d9423041d1b989818
Source of Spectrum K-126-1938-9
Wiley ID 1387632