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Methyl (2E)-3-[1-(2,6-dichlorobenzoyl)-1H-pyrazol-4-yl]-2-propenoate
SpectraBase Compound ID 6AiCNUP9546
InChI InChI=1S/C14H10Cl2N2O3/c1-21-12(19)6-5-9-7-17-18(8-9)14(20)13-10(15)3-2-4-11(13)16/h2-8H,1H3/b6-5+
InChIKey SXWYMPNLLJPBFL-AATRIKPKSA-N
Mol Weight 325.15 g/mol
Molecular Formula C14H10Cl2N2O3
Exact Mass 324.006848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gr5IABAlRsI
Name Methyl (2E)-3-[1-(2,6-dichlorobenzoyl)-1H-pyrazol-4-yl]-2-propenoate
CAS Registry Number 95883-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10Cl2N2O3
InChI InChI=1S/C14H10Cl2N2O3/c1-21-12(19)6-5-9-7-17-18(8-9)14(20)13-10(15)3-2-4-11(13)16/h2-8H,1H3/b6-5+
InChIKey SXWYMPNLLJPBFL-AATRIKPKSA-N
Molecular Weight 325.151 g/mol
SMILES COC(=O)\C=C\c1c[n](nc1)C(=O)c1c(Cl)cccc1Cl
SPLASH splash10-00fr-0920000000-12614b19239590080915
Source of Spectrum AJ-57-3492-14
Synonyms (E)-3-[1-(2,6-dichlorobenzoyl)pyrazol-4-yl]acrylic acid methyl ester (E)-3-[1-[(2,6-dichlorophenyl)-oxomethyl]-4-pyrazolyl]-2-propenoic acid methyl ester Methyl (E)-3-[1-(2,6-dichlorobenzoyl)pyrazol-4-yl]prop-2-enoate Methyl (E)-3-[1-[2,6-bis(chloranyl)phenyl]carbonylpyrazol-4-yl]prop-2-enoate Methyl 3-[1-(2,6-dichlorobenzoyl)pyrazol-4-yl]prop-2-enoate
Wiley ID 1322866