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(+/-)-4-[3-[HYDROXY-(2-PHENYL-[1,3]-DITHIAN-2-YL)-METHYL]-5-METHOXYPHENOXY]-BUTYRIC-ACID
SpectraBase Compound ID 7hz49HXCCYV
InChI InChI=1S/C22H26O5S2/c1-26-18-13-16(14-19(15-18)27-10-5-9-20(23)24)21(25)22(28-11-6-12-29-22)17-7-3-2-4-8-17/h2-4,7-8,13-15,21,25H,5-6,9-12H2,1H3,(H,23,24)
InChIKey HNUPQWJVPAPAGZ-UHFFFAOYSA-N
Mol Weight 434.57 g/mol
Molecular Formula C22H26O5S2
Exact Mass 434.122166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6PB8CsaJFTQ
Name (+/-)-4-[3-[HYDROXY-(2-PHENYL-[1,3]-DITHIAN-2-YL)-METHYL]-5-METHOXYPHENOXY]-BUTYRIC-ACID
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O5S2
InChI InChI=1S/C22H26O5S2/c1-26-18-13-16(14-19(15-18)27-10-5-9-20(23)24)21(25)22(28-11-6-12-29-22)17-7-3-2-4-8-17/h2-4,7-8,13-15,21,25H,5-6,9-12H2,1H3,(H,23,24)
InChIKey HNUPQWJVPAPAGZ-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 434.565 g/mol
Solvent CDCl3
Source File Reference UWMS24244