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4-[BIS-(OCTYLTHIO)-METHYL]-2-METHYL-6-[(OCTYLTHIO)-METHYL]-PHENOL
SpectraBase Compound ID CoNu3S3s2qk
InChI InChI=1S/C33H60OS3/c1-5-8-11-14-17-20-23-35-28-31-27-30(26-29(4)32(31)34)33(36-24-21-18-15-12-9-6-2)37-25-22-19-16-13-10-7-3/h26-27,33-34H,5-25,28H2,1-4H3
InChIKey HLWREPFINRPEEX-UHFFFAOYSA-N
Mol Weight 569.0 g/mol
Molecular Formula C33H60OS3
Exact Mass 568.38063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JzgYHQMZtV
Name 4-[BIS-(OCTYLTHIO)-METHYL]-2-METHYL-6-[(OCTYLTHIO)-METHYL]-PHENOL
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H60OS3
InChI InChI=1S/C33H60OS3/c1-5-8-11-14-17-20-23-35-28-31-27-30(26-29(4)32(31)34)33(36-24-21-18-15-12-9-6-2)37-25-22-19-16-13-10-7-3/h26-27,33-34H,5-25,28H2,1-4H3
InChIKey HLWREPFINRPEEX-UHFFFAOYSA-N
Literature Reference Author H.MEIER,H.KUENZI,H.FUHRER,G.RIST
Literature Reference Citation HELV.CHIM.ACTA,77,655(1994)
Literature Reference DOI 10.1002/hlca.19940770308
Molecular Weight 569.019 g/mol
Solvent CDCl3
Source File Reference UWVP4439