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

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2-Benzoyloxy-1-(3,4-dimethoxyphenyl)-2-(2-[.beta.-(N-ethoxycarbonyl-N-methyl)aminoethyl]-4,5-methylenedioxyphenyl)-ethanone
SpectraBase Compound ID LCm03WMJqQw
InChI InChI=1S/C30H31NO9/c1-5-37-30(34)31(2)14-13-20-15-25-26(39-18-38-25)17-22(20)28(40-29(33)19-9-7-6-8-10-19)27(32)21-11-12-23(35-3)24(16-21)36-4/h6-12,15-17,28H,5,13-14,18H2,1-4H3
InChIKey YXOYQORPIZHRKS-UHFFFAOYSA-N
Mol Weight 549.58 g/mol
Molecular Formula C30H31NO9
Exact Mass 549.199882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AciN0OFzbnM
Name 2-Benzoyloxy-1-(3,4-dimethoxyphenyl)-2-(2-[.beta.-(N-ethoxycarbonyl-N-methyl)aminoethyl]-4,5-methylenedioxyphenyl)-ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.199881573 u
Formula C30H31NO9
InChI InChI=1S/C30H31NO9/c1-5-37-30(34)31(2)14-13-20-15-25-26(39-18-38-25)17-22(20)28(40-29(33)19-9-7-6-8-10-19)27(32)21-11-12-23(35-3)24(16-21)36-4/h6-12,15-17,28H,5,13-14,18H2,1-4H3
InChIKey YXOYQORPIZHRKS-UHFFFAOYSA-N
Molecular Weight 549.576 g/mol
SMILES C(C=1C(=CC2=C(C1)OCO2)CCN(C(=O)OCC)C)(OC(=O)C=1C=CC=CC1)C(C=1C=C(OC)C(=CC1)OC)=O