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2-methyl-4,6-bis(octylsulfanylmethyl)phenol

View entire compound with spectra: 1 NMR, and 1 FTIR

2-methyl-4,6-bis(octylsulfanylmethyl)phenol
SpectraBase Compound ID LAP1XSdmij8
InChI InChI=1S/C25H44OS2/c1-4-6-8-10-12-14-16-27-20-23-18-22(3)25(26)24(19-23)21-28-17-15-13-11-9-7-5-2/h18-19,26H,4-17,20-21H2,1-3H3
InChIKey GAODDBNJCKQQDY-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C25H44OS2
Exact Mass 424.283358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESML37KtElm
Name 2-methyl-4,6-bis(octylsulfanylmethyl)phenol
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H44OS2
InChI InChI=1S/C25H44OS2/c1-4-6-8-10-12-14-16-27-20-23-18-22(3)25(26)24(19-23)21-28-17-15-13-11-9-7-5-2/h18-19,26H,4-17,20-21H2,1-3H3
InChIKey GAODDBNJCKQQDY-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 424.744 g/mol
Solvent CDCl3
Source File Reference UWVP4437