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Dimethyl 2-(4-methylbenzoyl)-5-(4-methylanilino)-3,4-thiophenedicarboxylate
SpectraBase Compound ID CuVAN25s9Tw
InChI InChI=1S/C23H21NO5S/c1-13-5-9-15(10-6-13)19(25)20-17(22(26)28-3)18(23(27)29-4)21(30-20)24-16-11-7-14(2)8-12-16/h5-12,24H,1-4H3
InChIKey PTFZRBVUYLKORO-UHFFFAOYSA-N
Mol Weight 423.48 g/mol
Molecular Formula C23H21NO5S
Exact Mass 423.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLBHgPBgxfy
Name Dimethyl 2-(4-methylbenzoyl)-5-(4-methylanilino)-3,4-thiophenedicarboxylate
Appearance White powders
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO5S
InChI InChI=1S/C23H21NO5S/c1-13-5-9-15(10-6-13)19(25)20-17(22(26)28-3)18(23(27)29-4)21(30-20)24-16-11-7-14(2)8-12-16/h5-12,24H,1-4H3
InChIKey PTFZRBVUYLKORO-UHFFFAOYSA-N
Instrument Name FINNIGAN-MAT 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3884
Molecular Weight 423.483 g/mol
SMILES N(c1sc(c(C(OC)=O)c1C(=O)OC)C(c1ccc(cc1)C)=O)c1ccc(cc1)C
SPLASH splash10-001l-9007000000-3499fca4c7c92c3543c1
Source of Spectrum Y-57-1594-5a
Wiley ID 1860137