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3,5-dinitro-1-methylpyrrole-2-carboxylic acid, ethyl ester
SpectraBase Compound ID FSQJtYaQ9Pa
InChI InChI=1S/C8H9N3O6/c1-3-17-8(12)7-5(10(13)14)4-6(9(7)2)11(15)16/h4H,3H2,1-2H3
InChIKey DLCWRYMTNRNYDG-UHFFFAOYSA-N
Mol Weight 243.17 g/mol
Molecular Formula C8H9N3O6
Exact Mass 243.049135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGVblx8ud7e
Name 1-Methyl-3,5-dinitro-pyrrole-2-carboxylic acid, ethyl ester
CAS Registry Number 72795-87-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H9N3O6
InChI InChI=1S/C8H9N3O6/c1-3-17-8(12)7-5(10(13)14)4-6(9(7)2)11(15)16/h4H,3H2,1-2H3
InChIKey DLCWRYMTNRNYDG-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference L. Grehn, Chemica Scripta 13, 67 (1978).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6