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4-Methyl-2-phenylamino-5-[2-(toluene-4-sulfonyl)-acetyl]-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID DqjUbixPtNf
InChI InChI=1S/C23H23NO5S2/c1-4-29-23(26)20-16(3)21(30-22(20)24-17-8-6-5-7-9-17)19(25)14-31(27,28)18-12-10-15(2)11-13-18/h5-13,24H,4,14H2,1-3H3
InChIKey HNAOHVPLKJCRLW-UHFFFAOYSA-N
Mol Weight 457.56 g/mol
Molecular Formula C23H23NO5S2
Exact Mass 457.101765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52d8ivF43R2
Name 4-Methyl-2-phenylamino-5-[2-(toluene-4-sulfonyl)-acetyl]-thiophene-3-carboxylic acid ethyl ester
Appearance Yellow powder
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Formula C23H23NO5S2
InChI InChI=1S/C23H23NO5S2/c1-4-29-23(26)20-16(3)21(30-22(20)24-17-8-6-5-7-9-17)19(25)14-31(27,28)18-12-10-15(2)11-13-18/h5-13,24H,4,14H2,1-3H3
InChIKey HNAOHVPLKJCRLW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3688
Molecular Weight 457.559 g/mol
SMILES N(c1c(c(c(s1)C(=O)CS(c1ccc(cc1)C)(=O)=O)C)C(OCC)=O)c1ccccc1
SPLASH splash10-052f-8902000000-0b418768bed84a8d07bf
Source of Spectrum Y-56-SM28-15
Wiley ID 1861099