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Ethyl 2-Methyl-5-(4-methylbenzoyl)-4-phenylthiophene-3-carboxylate
SpectraBase Compound ID 3FHjAz6Syq9
InChI InChI=1S/C22H20O3S/c1-4-25-22(24)18-15(3)26-21(19(18)16-8-6-5-7-9-16)20(23)17-12-10-14(2)11-13-17/h5-13H,4H2,1-3H3
InChIKey MQRCNHOQZGXSBC-UHFFFAOYSA-N
Mol Weight 364.46 g/mol
Molecular Formula C22H20O3S
Exact Mass 364.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A84xMXhhgb
Name Ethyl 2-Methyl-5-(4-methylbenzoyl)-4-phenylthiophene-3-carboxylate
Appearance Yellow oil
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Exact Mass 364.113315675 u
Formula C22H20O3S
InChI InChI=1S/C22H20O3S/c1-4-25-22(24)18-15(3)26-21(19(18)16-8-6-5-7-9-16)20(23)17-12-10-14(2)11-13-17/h5-13H,4H2,1-3H3
InChIKey MQRCNHOQZGXSBC-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 364.459 g/mol
SMILES C=1(SC(=C(C1C1=CC=CC=C1)C(=O)OCC)C)C(C1=CC=C(C=C1)C)=O
SPLASH splash10-014i-6927000000-2692a1c78250d6bc8672
Source of Spectrum K1-2018-3009-4o (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891785