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DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-TRIFLUOROMETHYLBENZENESULFONYL)-AMINO]-METHYL]-4-OXO-4-THIOPHEN-2-YL-BUTYL)-ESTER-O-ETHYLESTER

View entire compound with spectra: 1 NMR

DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-TRIFLUOROMETHYLBENZENESULFONYL)-AMINO]-METHYL]-4-OXO-4-THIOPHEN-2-YL-BUTYL)-ESTER-O-ETHYLESTER
SpectraBase Compound ID 4QMZCFArX5t
InChI InChI=1S/C21H22F3NO5S4/c1-3-30-33-20(31)15(6-11-18(27)19-5-4-12-32-19)13-25(14(2)26)34(28,29)17-9-7-16(8-10-17)21(22,23)24/h4-5,7-10,12,15H,3,6,11,13H2,1-2H3
InChIKey UDTCIQYHVWFLLR-UHFFFAOYSA-N
Mol Weight 553.6 g/mol
Molecular Formula C21H22F3NO5S4
Exact Mass 553.033292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHyxfDxb6Nl
Name DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(4-TRIFLUOROMETHYLBENZENESULFONYL)-AMINO]-METHYL]-4-OXO-4-THIOPHEN-2-YL-BUTYL)-ESTER-O-ETHYLESTER
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22F3NO5S4
InChI InChI=1S/C21H22F3NO5S4/c1-3-30-33-20(31)15(6-11-18(27)19-5-4-12-32-19)13-25(14(2)26)34(28,29)17-9-7-16(8-10-17)21(22,23)24/h4-5,7-10,12,15H,3,6,11,13H2,1-2H3
InChIKey UDTCIQYHVWFLLR-UHFFFAOYSA-N
Literature Reference Author A.GHEORGHE,B.QUICLET-SIRE,X.VILA,S.Z.ZARD
Literature Reference Citation ORG.LETTERS,7,1653(2005)
Literature Reference DOI 10.1021/ol0503642
Molecular Weight 553.645 g/mol
Sample ID 62160
Solvent CDCl3