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NEMEROSIN;2-(3,4,5-TRIMETHOXYBENZYLIDENE)-3-(3',4'-METHYLENEDIOXYBENZYL)-GAMMA-BUTYROLACTONE
SpectraBase Compound ID EVypgKrAKwD
InChI InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7+/t15-/m0/s1
InChIKey CJLVKDPRUXBTJQ-PLWLOYALSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DS53yrWlXSW
Name NEMEROSIN;2-(3,4,5-TRIMETHOXYBENZYLIDENE)-3-(3',4'-METHYLENEDIOXYBENZYL)-GAMMA-BUTYROLACTONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7+/t15-/m0/s1
InChIKey CJLVKDPRUXBTJQ-PLWLOYALSA-N
Literature Reference Author R.IKEDA,T.NAGAO,H.OKABE,Y.NAKANO,H.MATSUNAGA,M.KATANO,M.MORI
Literature Reference Citation CHEM.PHARM.BULL.,46,871(1998)
Literature Reference DOI 10.1248/cpb.46.871
Molecular Weight 398.412 g/mol
Solvent CDCl3
Source File Reference UWMS6367