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Ethyl 5-Benzoyl-4-(4-chlorophenyl)-2-methylthiophene-3-carboxylate
SpectraBase Compound ID 1tQcHFVqL8w
InChI InChI=1S/C21H17ClO3S/c1-3-25-21(24)17-13(2)26-20(19(23)15-7-5-4-6-8-15)18(17)14-9-11-16(22)12-10-14/h4-12H,3H2,1-2H3
InChIKey JFHNIORIXYVRMH-UHFFFAOYSA-N
Mol Weight 384.88 g/mol
Molecular Formula C21H17ClO3S
Exact Mass 384.058693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZbYqb9PG2j
Name Ethyl 5-Benzoyl-4-(4-chlorophenyl)-2-methylthiophene-3-carboxylate
Appearance Yellow oil
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Exact Mass 384.058693278 u
Formula C21H17ClO3S
InChI InChI=1S/C21H17ClO3S/c1-3-25-21(24)17-13(2)26-20(19(23)15-7-5-4-6-8-15)18(17)14-9-11-16(22)12-10-14/h4-12H,3H2,1-2H3
InChIKey JFHNIORIXYVRMH-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 384.877 g/mol
Quality 234
SMILES C=1(SC(=C(C1C1=CC=C(C=C1)Cl)C(=O)OCC)C)C(C1=CC=CC=C1)=O
SPLASH splash10-0a6r-7912000000-6aff7b95e63cae3010b0
Source of Spectrum K1-2018-3008-4n (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891784