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(E)-3-[1-(2,6-dichlorobenzoyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid ethyl ester
SpectraBase Compound ID 5jxUpoyTuke
InChI InChI=1S/C18H17Cl2NO3/c1-4-24-16(22)9-8-13-10-11(2)21(12(13)3)18(23)17-14(19)6-5-7-15(17)20/h5-10H,4H2,1-3H3/b9-8+
InChIKey HUEXONBVOBYUSV-CMDGGOBGSA-N
Mol Weight 366.24 g/mol
Molecular Formula C18H17Cl2NO3
Exact Mass 365.058549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hmf0aqKSHtL
Name (E)-3-[1-(2,6-dichlorobenzoyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid ethyl ester
CAS Registry Number 95883-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17Cl2NO3
InChI InChI=1S/C18H17Cl2NO3/c1-4-24-16(22)9-8-13-10-11(2)21(12(13)3)18(23)17-14(19)6-5-7-15(17)20/h5-10H,4H2,1-3H3/b9-8+
InChIKey HUEXONBVOBYUSV-CMDGGOBGSA-N
Molecular Weight 366.244 g/mol
SMILES C([n]1c(cc(c1C)\C=C\C(=O)OCC)C)(c1c(Cl)cccc1Cl)=O
SPLASH splash10-00fr-0902000000-269a5324c0a7d39c8056
Source of Spectrum AJ-57-3492-9
Synonyms (E)-3-[1-[(2,6-dichlorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid ethyl ester Ethyl (2E)-3-[1-(2,6-dichlorobenzoyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-propenoate Ethyl (E)-3-[1-(2,6-dichlorobenzoyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Ethyl (E)-3-[1-[2,6-bis(chloranyl)phenyl]carbonyl-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Ethyl 3-[1-(2,6-dichlorobenzoyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate
Wiley ID 1351335