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3-[4-HYDROXY-3-METHYL-5-[(OCTYLTHIO)-METHYL]-PHENYL]-2,2-DIMETHYL-3-[(OCTYLTHIO)-METHYL]-PROPANENITRILE
SpectraBase Compound ID GWs1tuUpNv3
InChI InChI=1S/C29H49NOS2/c1-6-8-10-12-14-16-18-32-22-26-21-25(20-24(3)27(26)31)28(29(4,5)23-30)33-19-17-15-13-11-9-7-2/h20-21,28,31H,6-19,22H2,1-5H3
InChIKey PDYPVHBLEUCMKY-UHFFFAOYSA-N
Mol Weight 491.8 g/mol
Molecular Formula C29H49NOS2
Exact Mass 491.325558 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgDGPzUkzmE
Name 3-[4-HYDROXY-3-METHYL-5-[(OCTYLTHIO)-METHYL]-PHENYL]-2,2-DIMETHYL-3-[(OCTYLTHIO)-METHYL]-PROPANENITRILE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H49NOS2
InChI InChI=1S/C29H49NOS2/c1-6-8-10-12-14-16-18-32-22-26-21-25(20-24(3)27(26)31)28(29(4,5)23-30)33-19-17-15-13-11-9-7-2/h20-21,28,31H,6-19,22H2,1-5H3
InChIKey PDYPVHBLEUCMKY-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 491.834 g/mol
Solvent CDCl3
Source File Reference UWVP4443