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(3S,6S)-6-[2-(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)-2-keto-ethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester
SpectraBase Compound ID E0ShggZ98qz
InChI InChI=1S/C15H17BrN2O6/c1-23-14(21)11-6-10(16)13(17-11)12(20)5-8-3-4-9(19)7-18(8)15(22)24-2/h3-4,6,8-9,17,19H,5,7H2,1-2H3/t8-,9+/m1/s1
InChIKey JMBXPFZTAUOGCA-BDAKNGLRSA-N
Mol Weight 401.21 g/mol
Molecular Formula C15H17BrN2O6
Exact Mass 400.026999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8RRYH6bIqz
Name (3S,6S)-6-[2-(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)-2-keto-ethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester
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Formula C15H17BrN2O6
InChI InChI=1S/C15H17BrN2O6/c1-23-14(21)11-6-10(16)13(17-11)12(20)5-8-3-4-9(19)7-18(8)15(22)24-2/h3-4,6,8-9,17,19H,5,7H2,1-2H3/t8-,9+/m1/s1
InChIKey JMBXPFZTAUOGCA-BDAKNGLRSA-N
Molecular Weight 401.213 g/mol
SMILES [nH]1c(cc(c1C(C[C@]1(C=C[C@@](CN1C(=O)OC)(O)[H])[H])=O)Br)C(=O)OC
SPLASH splash10-0a59-1921000000-196f6493589591e01733
Source of Spectrum E1-44-73-15
Synonyms (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester Methyl (3S,6S)-6-[2-(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3-oxidanyl-3,6-dihydro-2H-pyridine-1-carboxylate Methyl (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-3-hydroxy-3,6-dihydro-2H-pyridine-1-carboxylate
Wiley ID 1553210