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(7S,8R)-6-(hydroximinomethyl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid methyl ester
SpectraBase Compound ID LyF50tgvU0g
InChI InChI=1S/C23H23NO8/c1-27-18-7-13(8-19(28-2)22(18)29-3)20-15-9-17-16(31-11-32-17)6-12(15)5-14(10-24-26)21(20)23(25)30-4/h5-10,20-21,26H,11H2,1-4H3/b24-10+/t20-,21-/m1/s1
InChIKey MSSPDXUGNRGTLM-CAVQWZQESA-N
Mol Weight 441.44 g/mol
Molecular Formula C23H23NO8
Exact Mass 441.142367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASmg2qV9X5V
Name (7S,8R)-6-(hydroximinomethyl)-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid methyl ester
Compound Number 39
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22NO8
InChI InChI=1S/C23H23NO8/c1-27-18-7-13(8-19(28-2)22(18)29-3)20-15-9-17-16(31-11-32-17)6-12(15)5-14(10-24-26)21(20)23(25)30-4/h5-10,20-21,26H,11H2,1-4H3/b24-10+/t20-,21-/m1/s1
InChIKey MSSPDXUGNRGTLM-CAVQWZQESA-N
Literature Reference Author M.A.CASTRO,J.M.M.DELCORRAL,M.L.LOPEZ-VAZQUEZ,P.A.GARCIA,A.SA NFELICIANO,M.GORDALI
Literature Reference Citation MAGN.RES.CHEM.,35,808(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199711)35:11<808::aid-omr165>3.0.co;2-l
Molecular Weight 440.430 g/mol
Solvent CDCl3
Source File Reference UWCP3539