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N-(3)-BUTYLCANTHIN-6-ONE-IODINE_SALT
SpectraBase Compound ID 7PVMBCNlcD7
InChI InChI=1S/C18H17N2O.HI/c1-2-3-11-19-12-10-14-13-6-4-5-7-15(13)20-17(21)9-8-16(19)18(14)20;/h4-10,12H,2-3,11H2,1H3;1H/q+1;/p-1
InChIKey NNYJTJOFJADDNM-UHFFFAOYSA-M
Mol Weight 404.25 g/mol
Molecular Formula C18H17IN2O
Exact Mass 404.038558 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlRujpBk1NU
Name N-(3)-BUTYLCANTHIN-6-ONE-IODINE_SALT
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17IN2O
InChI InChI=1S/C18H17N2O.HI/c1-2-3-11-19-12-10-14-13-6-4-5-7-15(13)20-17(21)9-8-16(19)18(14)20;/h4-10,12H,2-3,11H2,1H3;1H/q+1;/p-1
InChIKey NNYJTJOFJADDNM-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 404.250 g/mol
Solvent DMSO-D6
Source File Reference UWMZ13030