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5-[ACETYL-(TOLUENE-4-SULFONYL)-AMINO]-4-ETHOXYTHIOCARBONYLSULFANYL-PENTANOIC-ACID-METHYLESTER
SpectraBase Compound ID 3E9pwvfF1Y
InChI InChI=1S/C18H25NO6S3/c1-5-25-27-18(26)15(8-11-17(21)24-4)12-19(14(3)20)28(22,23)16-9-6-13(2)7-10-16/h6-7,9-10,15H,5,8,11-12H2,1-4H3
InChIKey KFAZVNCJZSEKNX-UHFFFAOYSA-N
Mol Weight 447.58 g/mol
Molecular Formula C18H25NO6S3
Exact Mass 447.084401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HIJVrenJUn
Name 5-[ACETYL-(TOLUENE-4-SULFONYL)-AMINO]-4-ETHOXYTHIOCARBONYLSULFANYL-PENTANOIC-ACID-METHYLESTER
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25NO6S3
InChI InChI=1S/C18H25NO6S3/c1-5-25-27-18(26)15(8-11-17(21)24-4)12-19(14(3)20)28(22,23)16-9-6-13(2)7-10-16/h6-7,9-10,15H,5,8,11-12H2,1-4H3
InChIKey KFAZVNCJZSEKNX-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 447.580 g/mol
Sample ID 62154
Solvent CDCl3