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3,4-dinitro-1-methylpyrrole
SpectraBase Compound ID Ek0d7ySlrmt
InChI InChI=1S/C5H5N3O4/c1-6-2-4(7(9)10)5(3-6)8(11)12/h2-3H,1H3
InChIKey WAQOUFIPROQCAM-UHFFFAOYSA-N
Mol Weight 171.11 g/mol
Molecular Formula C5H5N3O4
Exact Mass 171.028006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCfuCECiTfE
Name 1H-Pyrrole, 1-methyl-3,4-dinitro-
CAS Registry Number 68712-54-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H5N3O4
InChI InChI=1S/C5H5N3O4/c1-6-2-4(7(9)10)5(3-6)8(11)12/h2-3H,1H3
InChIKey WAQOUFIPROQCAM-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