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(+/-)-4-[3-[HYDROXY-(2-PHENYL-[1,3]-DITHIAN-2-YL)-METHYL]-5-METHOXYPHENOXY]-BUTYRIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID FrWed2BDukl
InChI InChI=1S/2C26H34O5S2/c2*1-25(2,3)31-23(27)12-8-13-30-22-17-19(16-21(18-22)29-4)24(28)26(32-14-9-15-33-26)20-10-6-5-7-11-20/h2*5-7,10-11,16-18,24,28H,8-9,12-15H2,1-4H3
InChIKey OVIITOZBUPTDQP-UHFFFAOYSA-N
Mol Weight 981.3 g/mol
Molecular Formula C52H68O10S4
Exact Mass 980.369533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CErnx9vk085
Name (+/-)-4-[3-[HYDROXY-(2-PHENYL-[1,3]-DITHIAN-2-YL)-METHYL]-5-METHOXYPHENOXY]-BUTYRIC-ACID-TERT.-BUTYLESTER
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H68O10S4
InChI InChI=1S/2C26H34O5S2/c2*1-25(2,3)31-23(27)12-8-13-30-22-17-19(16-21(18-22)29-4)24(28)26(32-14-9-15-33-26)20-10-6-5-7-11-20/h2*5-7,10-11,16-18,24,28H,8-9,12-15H2,1-4H3
InChIKey OVIITOZBUPTDQP-UHFFFAOYSA-N
Literature Reference Author M.CANO,M.LADLOW,S.BALASUBRAMANIAN
Literature Reference Citation J.ORG.CHEM.,67,129(2002)
Literature Reference DOI 10.1021/jo010703e
Molecular Weight 981.346 g/mol
Solvent CDCl3
Source File Reference UWMS24243