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2-Hydroxy-1-(2-carboxyphenyl)-2-(2-[.beta.-(N-ethoxycarbonyl-N-methyl)aminoethyl]-4,5-methylenedioxyphenyl)-ethanone
SpectraBase Compound ID JcpKRtaJk1a
InChI InChI=1S/C22H23NO8/c1-3-29-22(28)23(2)9-8-13-10-17-18(31-12-30-17)11-16(13)20(25)19(24)14-6-4-5-7-15(14)21(26)27/h4-7,10-11,20,25H,3,8-9,12H2,1-2H3,(H,26,27)
InChIKey WAMHKZOWVVXQFY-UHFFFAOYSA-N
Mol Weight 429.43 g/mol
Molecular Formula C22H23NO8
Exact Mass 429.142367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Es5yUH0UOmW
Name 2-Hydroxy-1-(2-carboxyphenyl)-2-(2-[.beta.-(N-ethoxycarbonyl-N-methyl)aminoethyl]-4,5-methylenedioxyphenyl)-ethanone
Alternate Name(s) 2-[(6-{2-[(ethoxycarbonyl)(methyl)amino]ethyl}-1,3-benzodioxol-5-yl)(hydroxy)acetyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO8
InChI InChI=1S/C22H23NO8/c1-3-29-22(28)23(2)9-8-13-10-17-18(31-12-30-17)11-16(13)20(25)19(24)14-6-4-5-7-15(14)21(26)27/h4-7,10-11,20,25H,3,8-9,12H2,1-2H3,(H,26,27)
InChIKey WAMHKZOWVVXQFY-UHFFFAOYSA-N
Molecular Weight 429.425 g/mol
SMILES OC(c1c(C(C(c2c(cc3c(c2)OCO3)CCN(C(=O)OCC)C)O)=O)cccc1)=O
SPLASH splash10-05mo-6960000000-287be6eecf2ec9df9b5e
Source of Spectrum F-41-2888-0
Wiley ID 1381149