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4-ETHOXYTHIOCARBONYLSULFANYL-5-(TOLUENE-4-SULFONYLAMINO)-PENTANOIC-ACID-METHYLESTER

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4-ETHOXYTHIOCARBONYLSULFANYL-5-(TOLUENE-4-SULFONYLAMINO)-PENTANOIC-ACID-METHYLESTER
SpectraBase Compound ID JA3KxNn7P3O
InChI InChI=1S/C16H23NO5S3/c1-4-22-24-16(23)13(7-10-15(18)21-3)11-17-25(19,20)14-8-5-12(2)6-9-14/h5-6,8-9,13,17H,4,7,10-11H2,1-3H3
InChIKey FJGMFURSDTXTOD-UHFFFAOYSA-N
Mol Weight 405.54 g/mol
Molecular Formula C16H23NO5S3
Exact Mass 405.073836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jw35ptqwFkT
Name 4-ETHOXYTHIOCARBONYLSULFANYL-5-(TOLUENE-4-SULFONYLAMINO)-PENTANOIC-ACID-METHYLESTER
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23NO5S3
InChI InChI=1S/C16H23NO5S3/c1-4-22-24-16(23)13(7-10-15(18)21-3)11-17-25(19,20)14-8-5-12(2)6-9-14/h5-6,8-9,13,17H,4,7,10-11H2,1-3H3
InChIKey FJGMFURSDTXTOD-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 405.542 g/mol
Sample ID 62145
Solvent CDCl3