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2-(2-Hydroxy-2-pentylheptyl)-2'-sulphanylmethylbiphenyl
SpectraBase Compound ID 4XoHZxWbXzZ
InChI InChI=1S/C25H36OS/c1-3-5-11-17-25(26,18-12-6-4-2)19-21-13-7-9-15-23(21)24-16-10-8-14-22(24)20-27/h7-10,13-16,26-27H,3-6,11-12,17-20H2,1-2H3
InChIKey JLMYQVYGQNDCDU-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36OS
Exact Mass 384.248687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C77p6uycaCU
Name 2-(2-Hydroxy-2-pentylheptyl)-2'-sulphanylmethylbiphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36OS
InChI InChI=1S/C25H36OS/c1-3-5-11-17-25(26,18-12-6-4-2)19-21-13-7-9-15-23(21)24-16-10-8-14-22(24)20-27/h7-10,13-16,26-27H,3-6,11-12,17-20H2,1-2H3
InChIKey JLMYQVYGQNDCDU-UHFFFAOYSA-N
Molecular Weight 384.622 g/mol
SMILES OC(Cc1c(-c2c(CS)cccc2)cccc1)(CCCCC)CCCCC
SPLASH splash10-001l-9820000000-a85754e2abf06f0c37aa
Source of Spectrum KC-61-9089-2
Synonyms 6-{[2'-(sulfanylmethyl)[1,1'-biphenyl]-2-yl]methyl}-6-undecanol
Wiley ID 1630528