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1-(3,9-DIHYDROXY-1,3-DIHYDROBENZO-[C]-OXEPIN-3-YL)-ETHANONE
SpectraBase Compound ID INVJCilsGbH
InChI InChI=1S/C12H12O4/c1-8(13)12(15)6-5-9-3-2-4-11(14)10(9)7-16-12/h2-6,14-15H,7H2,1H3
InChIKey KBJPQCHSYKRGBW-UHFFFAOYSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFJT4lEPyGg
Name 1-(3,9-DIHYDROXY-1,3-DIHYDROBENZO-[C]-OXEPIN-3-YL)-ETHANONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-8(13)12(15)6-5-9-3-2-4-11(14)10(9)7-16-12/h2-6,14-15H,7H2,1H3
InChIKey KBJPQCHSYKRGBW-UHFFFAOYSA-N
Literature Reference Author J.R.KESTING,L.OLSEN,D.STAERK,M.V.TEJESVI,K.R.KINI,H.S.PRAKAS H,J.W.JAROSZEWSKI
Literature Reference Citation J.NAT.PROD.,74,2206(2011)
Literature Reference DOI 10.1021/np2005665
Molecular Weight 220.225 g/mol
Sample ID 39430
Solvent CD3CN