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Ethyl 2-Methyl-4-phenyl-5-(4-phenylbenzoyl)thiophene-3-carboxylate
SpectraBase Compound ID Kyq2f424Dnr
InChI InChI=1S/C27H22O3S/c1-3-30-27(29)23-18(2)31-26(24(23)21-12-8-5-9-13-21)25(28)22-16-14-20(15-17-22)19-10-6-4-7-11-19/h4-17H,3H2,1-2H3
InChIKey GIYWJSPKAZJYOZ-UHFFFAOYSA-N
Mol Weight 426.53 g/mol
Molecular Formula C27H22O3S
Exact Mass 426.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4J7uiKxSEk
Name Ethyl 2-Methyl-4-phenyl-5-(4-phenylbenzoyl)thiophene-3-carboxylate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.128965739 u
Formula C27H22O3S
InChI InChI=1S/C27H22O3S/c1-3-30-27(29)23-18(2)31-26(24(23)21-12-8-5-9-13-21)25(28)22-16-14-20(15-17-22)19-10-6-4-7-11-19/h4-17H,3H2,1-2H3
InChIKey GIYWJSPKAZJYOZ-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800361
Molecular Weight 426.530 g/mol
Quality 234
SMILES C=1(SC(=C(C1C1=CC=CC=C1)C(=O)OCC)C)C(C1=CC=C(C=C1)C1=CC=CC=C1)=O
SPLASH splash10-0fb9-0923400000-e32a325a8252c83ba83e
Source of Spectrum K1-2018-3009-4p (DOI: 10.1002/ejoc.201800361)
Wiley ID 1891786