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OXYPENCEDANIN-HYDRATE
SpectraBase Compound ID 2SdD1stPfcM
InChI InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m0/s1
InChIKey PEWFWDOPJISUOK-ZDUSSCGKSA-N
Mol Weight 304.3 g/mol
Molecular Formula C16H16O6
Exact Mass 304.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VQpolUTQjR
Name OXYPENCEDANIN-HYDRATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16O6
InChI InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m0/s1
InChIKey PEWFWDOPJISUOK-ZDUSSCGKSA-N
Literature Reference Author T.FUJIOKA,K.FURUMI,H.FUJII,H.OKABE,K.MIHASHI,Y.NAKANO,H.MATS UNAGA,M.KATANO,M.MOR
Literature Reference Citation CHEM.PHARM.BULL.,47,96(1999)
Literature Reference DOI 10.1248/cpb.47.96
Molecular Weight 304.299 g/mol
Solvent CDCl3
Source File Reference UWKP7043