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IRISOLONE

View entire compound with spectra: 3 NMR, and 1 MS (GC)

IRISOLONE
SpectraBase Compound ID 9VaZEVle9rL
InChI InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-11(15(14)19)9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3
InChIKey RSSZOUXCQUJNKL-UHFFFAOYSA-N
Mol Weight 312.28 g/mol
Molecular Formula C17H12O6
Exact Mass 312.063388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQ7Q6dchlZw
Name NIGRICIN;IRISOLONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12O6
InChI InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-11(15(14)19)9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3
InChIKey RSSZOUXCQUJNKL-UHFFFAOYSA-N
Literature Reference Author S.A.M.AYATOLLAHI,M.R.MOEIN,F.KOBARFDARD,S.NASIM,M.I.CHOUDHAR Y
Literature Reference Citation IRAN.J.PHARM.RES.,4,250(2005)
Molecular Weight 312.279 g/mol
Solvent DMSO-D6
Source File Reference UWLU80421