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 Google Search
Mol Weight	507.68 g/mol
Molecular Formula	C24H29NO5S3
Exact Mass	507.120787 g/mol

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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 © 2016-2024 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