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2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-keto-prop-1-enyl]-4,5-dimethoxy-phenyl]acetic acid ethyl ester
SpectraBase Compound ID AYsMig1Vwi7
InChI InChI=1S/C23H25ClO7/c1-6-31-22(26)11-15-10-20(29-4)21(30-5)12-16(15)23(24)17(13-25)14-7-8-18(27-2)19(9-14)28-3/h7-10,12-13H,6,11H2,1-5H3/b23-17-
InChIKey QOKNXDZIVXHEOQ-QJOMJCCJSA-N
Mol Weight 448.9 g/mol
Molecular Formula C23H25ClO7
Exact Mass 448.128881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcqV9AKjlOF
Name 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-keto-prop-1-enyl]-4,5-dimethoxy-phenyl]acetic acid ethyl ester
CAS Registry Number 127394-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25ClO7
InChI InChI=1S/C23H25ClO7/c1-6-31-22(26)11-15-10-20(29-4)21(30-5)12-16(15)23(24)17(13-25)14-7-8-18(27-2)19(9-14)28-3/h7-10,12-13H,6,11H2,1-5H3/b23-17-
InChIKey QOKNXDZIVXHEOQ-QJOMJCCJSA-N
Molecular Weight 448.899 g/mol
SMILES c1(\C(=C\(c2c(cc(c(c2)OC)OC)CC(=O)OCC)Cl)C=O)cc(OC)c(cc1)OC
SPLASH splash10-03dj-0019600000-0a7c2303bf28bf86f161
Source of Spectrum Y-26-1602-13
Synonyms 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-4,5-dimethoxyphenyl]acetic acid ethyl ester Ethyl 2-[2-[(E)-1-chloranyl-2-(3,4-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-4,5-dimethoxy-phenyl]ethanoate Ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]-4,5-dimethoxy-phenyl]acetate
Wiley ID 1387112