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2-Benzoyloxy-2-(2-[.beta.-(N-ethoxycarbonyl-N-methyl)aminoethyl]-4,5-methylenedioxyphenyl)-1-(3,4-methylenedioxyphenyl)-ethanone

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2-Benzoyloxy-2-(2-[.beta.-(N-ethoxycarbonyl-N-methyl)aminoethyl]-4,5-methylenedioxyphenyl)-1-(3,4-methylenedioxyphenyl)-ethanone
SpectraBase Compound ID AiQlFqlUGep
InChI InChI=1S/C29H27NO9/c1-3-34-29(33)30(2)12-11-19-13-24-25(38-17-37-24)15-21(19)27(39-28(32)18-7-5-4-6-8-18)26(31)20-9-10-22-23(14-20)36-16-35-22/h4-10,13-15,27H,3,11-12,16-17H2,1-2H3
InChIKey QEGBMOMNIFXUAO-UHFFFAOYSA-N
Mol Weight 533.53 g/mol
Molecular Formula C29H27NO9
Exact Mass 533.168581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eSKhzIwquW
Name 2-Benzoyloxy-2-(2-[.beta.-(N-ethoxycarbonyl-N-methyl)aminoethyl]-4,5-methylenedioxyphenyl)-1-(3,4-methylenedioxyphenyl)-ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 533.168581444 u
Formula C29H27NO9
InChI InChI=1S/C29H27NO9/c1-3-34-29(33)30(2)12-11-19-13-24-25(38-17-37-24)15-21(19)27(39-28(32)18-7-5-4-6-8-18)26(31)20-9-10-22-23(14-20)36-16-35-22/h4-10,13-15,27H,3,11-12,16-17H2,1-2H3
InChIKey QEGBMOMNIFXUAO-UHFFFAOYSA-N
Molecular Weight 533.533 g/mol
SMILES C(C=1C(=CC2=C(C1)OCO2)CCN(C(=O)OCC)C)(OC(=O)C=1C=CC=CC1)C(C=1C=C2OCOC2=CC1)=O