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2-Propenoic acid, 3-[1-(2,6-dichlorobenzoyl)-2,5-dimethyl-1H-pyrrol-3-yl]-, methyl ester, (E)-
SpectraBase Compound ID HqXp0uSZSiH
InChI InChI=1S/C17H15Cl2NO3/c1-10-9-12(7-8-15(21)23-3)11(2)20(10)17(22)16-13(18)5-4-6-14(16)19/h4-9H,1-3H3/b8-7+
InChIKey RPJRPVGJAYYQNS-BQYQJAHWSA-N
Mol Weight 352.22 g/mol
Molecular Formula C17H15Cl2NO3
Exact Mass 351.042899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfZ8G27Sp5J
Name 2-Propenoic acid, 3-[1-(2,6-dichlorobenzoyl)-2,5-dimethyl-1H-pyrrol-3-yl]-, methyl ester, (E)-
CAS Registry Number 95883-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15Cl2NO3
InChI InChI=1S/C17H15Cl2NO3/c1-10-9-12(7-8-15(21)23-3)11(2)20(10)17(22)16-13(18)5-4-6-14(16)19/h4-9H,1-3H3/b8-7+
InChIKey RPJRPVGJAYYQNS-BQYQJAHWSA-N
Molecular Weight 352.217 g/mol
SMILES C([n]1c(cc(c1C)\C=C\C(=O)OC)C)(c1c(Cl)cccc1Cl)=O
SPLASH splash10-00fr-0901000000-2de88e85557c24458173
Source of Spectrum AJ-57-3492-9
Synonyms Ethyl (E)-3-[1-(2,6-dichlorobenzoyl)-2,5-dimethyl-3-pyrrol]-acrylate Methyl (2E)-3-[1-(2,6-dichlorobenzoyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-propenoate Methyl 3-[1-(2,6-dichlorobenzoyl)-2-methylpyrrol-3-yl]prop-2-enoate
Wiley ID 1342498