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Ethyl 5-Benzoyl-2-methyl-4-phenylthiophene-3-carboxylate
SpectraBase Compound ID BC0S0fIbwdd
InChI InChI=1S/C21H18O3S/c1-3-24-21(23)17-14(2)25-20(18(17)15-10-6-4-7-11-15)19(22)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKey YYZDOEWSWACGJP-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C21H18O3S
Exact Mass 350.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2MZO6RgAe8
Name Ethyl 5-Benzoyl-2-methyl-4-phenylthiophene-3-carboxylate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.097665611 u
Formula C21H18O3S
InChI InChI=1S/C21H18O3S/c1-3-24-21(23)17-14(2)25-20(18(17)15-10-6-4-7-11-15)19(22)16-12-8-5-9-13-16/h4-13H,3H2,1-2H3
InChIKey YYZDOEWSWACGJP-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 350.432 g/mol
Quality 314
SMILES C=1(SC(=C(C1C1=CC=CC=C1)C(=O)OCC)C)C(C1=CC=CC=C1)=O
SPLASH splash10-0kdi-5629000000-ed62ee07ea6f6513505f
Source of Spectrum K1-2018-3008-4k (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891781