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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 DWsPT9KmPFo
Name 3-CHLORO-6-METHYL-6-NITRO-2,4-CYCLOHEXADIEN-1-OL, ACETATE
Source of Sample A. Fischer, D. L. Fyles, G. N. Henderson J. Chem. Soc., Chem. Commun. 1980, 513
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 231.64
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Not Reported
Synonyms 2,4-CYCLOHEXADIEN-1-OL, 3-CHLORO- 6-METHYL-6-NITRO-, ACETATE