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Methyl .alpha.-Acetyl-5-(methoxycarbonyl).gamma.-oxo-1H-pyrrole-2-butyrate
SpectraBase Compound ID 9f54AaiKvA4
InChI InChI=1S/C13H15NO6/c1-7(15)8(12(17)19-2)6-11(16)9-4-5-10(14-9)13(18)20-3/h4-5,8,14H,6H2,1-3H3
InChIKey XJGWQYBFEOMZJG-UHFFFAOYSA-N
Mol Weight 281.26 g/mol
Molecular Formula C13H15NO6
Exact Mass 281.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8T712ioP0oQ
Name Methyl .alpha.-Acetyl-5-(methoxycarbonyl).gamma.-oxo-1H-pyrrole-2-butyrate
Alternate Name(s) Methyl 5-[3-(methoxycarbonyl)-4-oxopentanoyl]-1H-pyrrole-2-carboxylate 5-(3-Methoxycarbonyl-1,4-dioxopentyl)-1H-pyrrole-2-carboxylic acid methyl ester Methyl 5-(3-methoxycarbonyl-4-oxopentanoyl)-1H-pyrrole-2-carboxylate Methyl 5-(3-methoxycarbonyl-4-oxo-pentanoyl)-1H-pyrrole-2-carboxylate Methyl 5-(3-methoxycarbonyl-4-oxidanylidene-pentanoyl)-1H-pyrrole-2-carboxylate
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Formula C13H15NO6
InChI InChI=1S/C13H15NO6/c1-7(15)8(12(17)19-2)6-11(16)9-4-5-10(14-9)13(18)20-3/h4-5,8,14H,6H2,1-3H3
InChIKey XJGWQYBFEOMZJG-UHFFFAOYSA-N
Molecular Weight 281.264 g/mol
SMILES [nH]1c(ccc1C(CC(C(=O)OC)C(=O)C)=O)C(=O)OC
SPLASH splash10-0fkl-7920000000-f28c365ccc8e4fcf7330
Source of Spectrum E1-46-565-9
Wiley ID 1554272