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CIS-4-CHLORO-6-HYDROXY-6-METHYL-5-NITRO-CYCLOHEX-3-ENE-1,2-DIONE
SpectraBase Compound ID HlTZaH84io3
InChI InChI=1S/C7H6ClNO5/c1-7(12)5(9(13)14)3(8)2-4(10)6(7)11/h2,5,12H,1H3/t5-,7-/m1/s1
InChIKey NDISKXGTGRSDOA-IYSWYEEDSA-N
Mol Weight 219.58 g/mol
Molecular Formula C7H6ClNO5
Exact Mass 218.99345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGIDwW23lbc
Name CIS-4-CHLORO-6-HYDROXY-6-METHYL-5-NITRO-CYCLOHEX-3-ENE-1,2-DIONE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6ClNO5
InChI InChI=1S/C7H6ClNO5/c1-7(12)5(9(13)14)3(8)2-4(10)6(7)11/h2,5,12H,1H3/t5-,7-/m1/s1
InChIKey NDISKXGTGRSDOA-IYSWYEEDSA-N
Literature Reference Author M.P.HARTSHORN,H.T.ING,K.E.RICHARDS,R.S.THOMPSON,J.VAUGHAN
Literature Reference Citation AUSTR.J.CHEM.,35,221(1982)
Literature Reference DOI 10.1071/ch9820221
Molecular Weight 219.581 g/mol
Solvent ACETONE-D6
Source File Reference UWED3346