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2-(2-Hydroxy-2-ethylbutyl)-2'-sulphanylmethyl-1,1'-binaphthyl
SpectraBase Compound ID Es5uoDGJEwE
InChI InChI=1S/C27H28OS/c1-3-27(28,4-2)17-21-15-13-19-9-5-7-11-23(19)25(21)26-22(18-29)16-14-20-10-6-8-12-24(20)26/h5-16,28-29H,3-4,17-18H2,1-2H3
InChIKey OZBDXRGUZCFOGP-UHFFFAOYSA-N
Mol Weight 400.58 g/mol
Molecular Formula C27H28OS
Exact Mass 400.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCE1U0JnKaa
Name 2-(2-Hydroxy-2-ethylbutyl)-2'-sulphanylmethyl-1,1'-binaphthyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28OS
InChI InChI=1S/C27H28OS/c1-3-27(28,4-2)17-21-15-13-19-9-5-7-11-23(19)25(21)26-22(18-29)16-14-20-10-6-8-12-24(20)26/h5-16,28-29H,3-4,17-18H2,1-2H3
InChIKey OZBDXRGUZCFOGP-UHFFFAOYSA-N
Molecular Weight 400.580 g/mol
SMILES OC(Cc1c(-c2c(CS)ccc3c2cccc3)c2ccccc2cc1)(CC)CC
SPLASH splash10-0059-0090000000-90578e251da5f0deca43
Source of Spectrum KC-61-9092-9
Synonyms 3-({1-[2-(sulfanylmethyl)naphthalen-1-yl]naphthalen-2-yl}methyl)pentan-3-ol
Wiley ID 1630508