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N-(3)-METHYLCANTHIN-6-ONE-IODINE_SALT
SpectraBase Compound ID HLqAMC9Q849
InChI InChI=1S/C15H11N2O.HI/c1-16-9-8-11-10-4-2-3-5-12(10)17-14(18)7-6-13(16)15(11)17;/h2-9H,1H3;1H/q+1;/p-1
InChIKey ZQONVNFLVDVHNY-UHFFFAOYSA-M
Mol Weight 362.17 g/mol
Molecular Formula C15H11IN2O
Exact Mass 361.991608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ag76lxPwjvo
Name N-(3)-METHYLCANTHIN-6-ONE-IODINE_SALT
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11IN2O
InChI InChI=1S/C15H11N2O.HI/c1-16-9-8-11-10-4-2-3-5-12(10)17-14(18)7-6-13(16)15(11)17;/h2-9H,1H3;1H/q+1;/p-1
InChIKey ZQONVNFLVDVHNY-UHFFFAOYSA-M
Literature Reference Author F.SORIANO-AGATON,D.LAGOUTTE,E.POUPON,F.ROBLOT,A.FOURNET,J.C. GANTIER,R.HOCQUEMILL
Literature Reference Citation J.NAT.PROD.,68,1581(2005)
Literature Reference DOI 10.1021/np050250z
Molecular Weight 362.170 g/mol
Solvent DMSO-D6
Source File Reference UWMZ13029