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(-)-(S)-2-(3-HYDROXY-2-OXOINOLIN-3-YL)-ACETONITRILE
SpectraBase Compound ID HQJkFnGv4wQ
InChI InChI=1S/C10H10N2O3/c11-8(13)5-10(15)6-3-1-2-4-7(6)12-9(10)14/h1-4,15H,5H2,(H2,11,13)(H,12,14)/t10-/m0/s1
InChIKey JLVQWVLVZHOQGB-JTQLQIEISA-N
Mol Weight 206.2 g/mol
Molecular Formula C10H10N2O3
Exact Mass 206.069142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVJsJ00LMzN
Name (-)-(S)-2-(3-HYDROXY-2-OXOINOLIN-3-YL)-ACETONITRILE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10N2O3
InChI InChI=1S/C10H10N2O3/c11-8(13)5-10(15)6-3-1-2-4-7(6)12-9(10)14/h1-4,15H,5H2,(H2,11,13)(H,12,14)/t10-/m0/s1
InChIKey JLVQWVLVZHOQGB-JTQLQIEISA-N
Literature Reference Author M.CHEN,L.GAN,S.LIN,X.WANG,L.LI,Y.LI,C.ZHU,Y.WANG,B.JIANG,Y.Y ANG,J.SHI
Literature Reference Citation J.NAT.PROD.,75,1167(2012)
Literature Reference DOI 10.1021/np3002833
Molecular Weight 206.201 g/mol
Sample ID 41201
Solvent DMSO-D6