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(RAC)-3-CHLORO-ALPHA-4,5-TRIHYDROXY-BENZENE-ACETONITRILE
SpectraBase Compound ID 672boH3nuHQ
InChI InChI=1S/C8H6ClNO3/c9-5-1-4(7(12)3-10)2-6(11)8(5)13/h1-2,7,11-13H/t7-/m1/s1
InChIKey NXXXUOYZHLKUNV-SSDOTTSWSA-N
Mol Weight 199.59 g/mol
Molecular Formula C8H6ClNO3
Exact Mass 199.003621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DbfX0csJw5C
Name (RAC)-3-CHLORO-ALPHA-4,5-TRIHYDROXY-BENZENE-ACETONITRILE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6ClNO3
InChI InChI=1S/C8H6ClNO3/c9-5-1-4(7(12)3-10)2-6(11)8(5)13/h1-2,7,11-13H/t7-/m1/s1
InChIKey NXXXUOYZHLKUNV-SSDOTTSWSA-N
Literature Reference Author M.KNOLLMUELLER,P.GAERTNER,J.PERNERSTORFER,P.POJARLIEV,H.B.ST EGMANN
Literature Reference Citation MH.CHEM.,130,451(1999)
Literature Reference DOI 10.1007/s007060050204
Molecular Weight 199.594 g/mol
Solvent DMSO-D6
Source File Reference UWMP730