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1-methyl-4-nitropyrrole-2-methanol, acetate(ester)

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1-methyl-4-nitropyrrole-2-methanol, acetate(ester)
SpectraBase Compound ID Ae9Pfiqt5pr
InChI InChI=1S/C8H10N2O4/c1-6(11)14-5-8-3-7(10(12)13)4-9(8)2/h3-4H,5H2,1-2H3
InChIKey XEMPHKPEXDOVGZ-UHFFFAOYSA-N
Mol Weight 198.18 g/mol
Molecular Formula C8H10N2O4
Exact Mass 198.064057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F41gEfvGvB
Name 2-Acetoxymethyl-1-methyl-4-nitro-pyrrole
CAS Registry Number 77478-96-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H10N2O4
InChI InChI=1S/C8H10N2O4/c1-6(11)14-5-8-3-7(10(12)13)4-9(8)2/h3-4H,5H2,1-2H3
InChIKey XEMPHKPEXDOVGZ-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference L. Grehn, Chemica Scripta 16, 77 (1980).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6