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(+/-)-4-[3-[ACETOXY-(2-PHENYL-[1,3]-DITHIAN-2-YL)-METHYL]-5-METHOXYPHENOXY]-BUTYRIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID CyXLoLs4WiO
InChI InChI=1S/C28H36O6S2/c1-20(29)33-26(28(35-15-10-16-36-28)22-11-7-6-8-12-22)21-17-23(31-5)19-24(18-21)32-14-9-13-25(30)34-27(2,3)4/h6-8,11-12,17-19,26H,9-10,13-16H2,1-5H3
InChIKey LIXQSWHKDHKCBK-UHFFFAOYSA-N
Mol Weight 532.7 g/mol
Molecular Formula C28H36O6S2
Exact Mass 532.195331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35jVP3ufj0I
Name (+/-)-4-[3-[ACETOXY-(2-PHENYL-[1,3]-DITHIAN-2-YL)-METHYL]-5-METHOXYPHENOXY]-BUTYRIC-ACID-TERT.-BUTYLESTER
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36O6S2
InChI InChI=1S/C28H36O6S2/c1-20(29)33-26(28(35-15-10-16-36-28)22-11-7-6-8-12-22)21-17-23(31-5)19-24(18-21)32-14-9-13-25(30)34-27(2,3)4/h6-8,11-12,17-19,26H,9-10,13-16H2,1-5H3
InChIKey LIXQSWHKDHKCBK-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 532.710 g/mol
Solvent CDCl3
Source File Reference UWMS24242