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3-CHLORO-6-METHYL-6-NITRO-2,4-CYCLOHEXADIEN-1-OL, ACETATE

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3-CHLORO-6-METHYL-6-NITRO-2,4-CYCLOHEXADIEN-1-OL, ACETATE
SpectraBase Compound ID A9fnAE7bwG9
InChI InChI=1S/C9H10ClNO4/c1-6(12)15-8-5-7(10)3-4-9(8,2)11(13)14/h3-5,8H,1-2H3
InChIKey XBQPVMUQSUMRKD-UHFFFAOYSA-N
Mol Weight 231.63 g/mol
Molecular Formula C9H10ClNO4
Exact Mass 231.029836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDzE6R36w1z
Name 1-Acetoxy-3-chloro-6-methyl-6-nitro-cyclohexa-2,4-diene
CAS Registry Number 75508-74-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H10ClNO4
InChI InChI=1S/C9H10ClNO4/c1-6(12)15-8-5-7(10)3-4-9(8,2)11(13)14/h3-5,8H,1-2H3
InChIKey XBQPVMUQSUMRKD-UHFFFAOYSA-N
Literature Reference A. Fischer, D.L. Fyles, G.N. Henderson, J. Chem. Soc. Chem. Comm. 513 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3