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Thiophenium, 2,3,4,5-tetrachloro-, 1-(ethoxycarbonyl)-2-[[(4-methylphenyl)sulfonyl]amino]-2-oxoethylide
SpectraBase Compound ID AKfBIymo8IV
InChI InChI=1S/C16H13Cl4NO5S2/c1-3-26-16(23)12(27-13(19)10(17)11(18)14(27)20)15(22)21-28(24,25)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,21,22)
InChIKey QPXGJMQPKDRUPG-UHFFFAOYSA-N
Mol Weight 505.2 g/mol
Molecular Formula C16H13Cl4NO5S2
Exact Mass 502.898926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcBov7LYn4V
Name Thiophenium, 2,3,4,5-tetrachloro-, 1-(ethoxycarbonyl)-2-[[(4-methylphenyl)sulfonyl]amino]-2-oxoethylide
CAS Registry Number 123026-21-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13Cl4NO5S2
InChI InChI=1S/C16H13Cl4NO5S2/c1-3-26-16(23)12(27-13(19)10(17)11(18)14(27)20)15(22)21-28(24,25)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,21,22)
InChIKey QPXGJMQPKDRUPG-UHFFFAOYSA-N
Molecular Weight 505.214 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(C(=[s]1c(c(Cl)c(c1Cl)Cl)Cl)C(=O)OCC)=O
SPLASH splash10-0006-9210000000-d3aab582d591e04c9c97
Source of Spectrum J-54-4826-2
Synonyms 2,3,4,5-Tetrachlorthiophenium c-(ethoxycarbonyl)-c-[(n-tosylamino)carbonyl]methylide Ethyl 3-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-2-(2,3,4,5-tetrachloro-1H-1lambda(4)-thien-1-ylidene)propanoate
Wiley ID 1399369