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5-Acetyl-4-(1-oxido-3-pyridin-1-iumyl)-1H-pyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID 8F4gFreqxIB
InChI InChI=1S/C13H12N2O4/c1-8(16)12-10(6-11(14-12)13(17)19-2)9-4-3-5-15(18)7-9/h3-7,14H,1-2H3
InChIKey SPIBEWPFWVBGLU-UHFFFAOYSA-N
Mol Weight 260.25 g/mol
Molecular Formula C13H12N2O4
Exact Mass 260.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPSee5YB8Sd
Name 5-Acetyl-4-(1-oxido-3-pyridin-1-iumyl)-1H-pyrrole-2-carboxylic acid methyl ester
Alternate Name(s) 5-Acetyl-4-(1-oxidopyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylic acid methyl ester Methyl 5-acetyl-4-(1-oxidopyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylate Methyl 5-ethanoyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O4
InChI InChI=1S/C13H12N2O4/c1-8(16)12-10(6-11(14-12)13(17)19-2)9-4-3-5-15(18)7-9/h3-7,14H,1-2H3
InChIKey SPIBEWPFWVBGLU-UHFFFAOYSA-N
Molecular Weight 260.249 g/mol
SMILES [nH]1c(c(cc1C(=O)OC)-c1c[n+](ccc1)[O-])C(=O)C
SPLASH splash10-01ox-3690000000-2e862445d4f0fc2427dd
Source of Spectrum E1-46-406-19
Wiley ID 1554242