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trans-(+-)-5-Benzyloxy-2-[2-(3-bromo-5-(methoxycarbonyl)-1H-pyrrol-2-yl]-2-oxoethyl]-1,2,5,6,tetrahydro-1-(methoxycarbonyl)pyridine
SpectraBase Compound ID CaJ12XvRXGc
InChI InChI=1S/C22H23BrN2O6/c1-29-21(27)18-11-17(23)20(24-18)19(26)10-15-8-9-16(12-25(15)22(28)30-2)31-13-14-6-4-3-5-7-14/h3-9,11,15-16,24H,10,12-13H2,1-2H3/t15-,16+/m1/s1
InChIKey LKHAEMUCDWXUJA-CVEARBPZSA-N
Mol Weight 491.34 g/mol
Molecular Formula C22H23BrN2O6
Exact Mass 490.073949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iev0kHwVXY3
Name trans-(+-)-5-Benzyloxy-2-[2-(3-bromo-5-(methoxycarbonyl)-1H-pyrrol-2-yl]-2-oxoethyl]-1,2,5,6,tetrahydro-1-(methoxycarbonyl)pyridine
Alternate Name(s) (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-phenylmethoxy-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester Methyl (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-phenylmethoxy-3,6-dihydro-2H-pyridine-1-carboxylate Methyl (3S,6S)-3-benzyloxy-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate Methyl (3S,6S)-6-[2-(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3-phenylmethoxy-3,6-dihydro-2H-pyridine-1-carboxylate
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Formula C22H23BrN2O6
InChI InChI=1S/C22H23BrN2O6/c1-29-21(27)18-11-17(23)20(24-18)19(26)10-15-8-9-16(12-25(15)22(28)30-2)31-13-14-6-4-3-5-7-14/h3-9,11,15-16,24H,10,12-13H2,1-2H3/t15-,16+/m1/s1
InChIKey LKHAEMUCDWXUJA-CVEARBPZSA-N
Molecular Weight 491.338 g/mol
SMILES [nH]1c(cc(c1C(C[C@@]1(N(C(=O)OC)C[C@](C=C1)(OCc1ccccc1)[H])[H])=O)Br)C(=O)OC
SPLASH splash10-0006-9111000000-4e042261d3286a5b75ca
Source of Spectrum E1-44-74-21
Wiley ID 1553303