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1-Acetonylidene-2,4-dinitro-cyclohexadienate anion

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1-Acetonylidene-2,4-dinitro-cyclohexadienate anion
SpectraBase Compound ID BHNUjoX6N58
InChI InChI=1S/C9H7N2O5/c1-6(12)4-7-2-3-8(10(13)14)5-9(7)11(15)16/h2-5H,1H3/q-1
InChIKey PXQZWUMMGGKWHN-UHFFFAOYSA-N
Mol Weight 223.16 g/mol
Molecular Formula C9H7N2O5
Exact Mass 223.035496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ihl2nLEpEd
Name 1-Acetonylidene-2,4-dinitro-cyclohexadienate anion
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7N2O5
InChI InChI=1S/C9H7N2O5/c1-6(12)4-7-2-3-8(10(13)14)5-9(7)11(15)16/h2-5H,1H3/q-1
InChIKey PXQZWUMMGGKWHN-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference K.A. Kovar, E. Breitmaier, Chem. Ber. 111, 1646 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6