John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Hhlbr87HaCK SpectraBase Spectrum ID=2BHgfm5N638

(accessed ).
DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(TOLUENE-4-SULFONYL)-AMINO]-METHYL]-4-OXO-5-PHENYLPENTYL)-ESTER-O-ETHYLESTER
SpectraBase Compound ID Hhlbr87HaCK
InChI InChI=1S/C24H29NO5S3/c1-4-30-32-24(31)21(12-13-22(27)16-20-8-6-5-7-9-20)17-25(19(3)26)33(28,29)23-14-10-18(2)11-15-23/h5-11,14-15,21H,4,12-13,16-17H2,1-3H3
InChIKey PWNGICNSXHZPJI-UHFFFAOYSA-N
Mol Weight 507.68 g/mol
Molecular Formula C24H29NO5S3
Exact Mass 507.120789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BHgfm5N638
Name DITHIOCARBONIC-ACID-S-(1-[[ACETYL-(TOLUENE-4-SULFONYL)-AMINO]-METHYL]-4-OXO-5-PHENYLPENTYL)-ESTER-O-ETHYLESTER
Compound Number 4B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29NO5S3
InChI InChI=1S/C24H29NO5S3/c1-4-30-32-24(31)21(12-13-22(27)16-20-8-6-5-7-9-20)17-25(19(3)26)33(28,29)23-14-10-18(2)11-15-23/h5-11,14-15,21H,4,12-13,16-17H2,1-3H3
InChIKey PWNGICNSXHZPJI-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 507.678 g/mol
Sample ID 62155
Solvent CDCl3
SpectraBase Batch ID BHXXOykbGhe