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3(E)-[3,4-(Methylenedioxy)benzylidene]-4-(3,4-dimethoxybenzyl)-.gamma.-butyrolactone

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3(E)-[3,4-(Methylenedioxy)benzylidene]-4-(3,4-dimethoxybenzyl)-.gamma.-butyrolactone
SpectraBase Compound ID IOdSsRQBl15
InChI InChI=1S/C21H20O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,8-10,15H,7,11-12H2,1-2H3/b16-8+
InChIKey GVNUFBXIXQNOCF-LZYBPNLTSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25MDBVsiYIw
Name Kaerophyllin
Comments FROM MIKAYA, STRUCTURE CHANGED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,8-10,15H,7,11-12H2,1-2H3/b16-8+
InChIKey GVNUFBXIXQNOCF-LZYBPNLTSA-N
Literature Reference P.K. Agrawal, R.S. Thakur, Magn. Res. Chem. 23, 389 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3