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4-[2-(11-hydroxyundecylthio)-2-(4-methoxyphenyl)ethyl]phenol
SpectraBase Compound ID AqgEIJxd2gi
InChI InChI=1S/C26H38O3S/c1-29-25-17-13-23(14-18-25)26(21-22-11-15-24(28)16-12-22)30-20-10-8-6-4-2-3-5-7-9-19-27/h11-18,26-28H,2-10,19-21H2,1H3
InChIKey BUWNFPIZFCVUQH-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C26H38O3S
Exact Mass 430.254166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60qNjgXfduD
Name 4-[2-(11-hydroxyundecylthio)-2-(4-methoxyphenyl)ethyl]phenol
Alternate Name(s) 4-[2-(4-methoxyphenyl)-2-(11-oxidanylundecylsulfanyl)ethyl]phenol
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Formula C26H38O3S
InChI InChI=1S/C26H38O3S/c1-29-25-17-13-23(14-18-25)26(21-22-11-15-24(28)16-12-22)30-20-10-8-6-4-2-3-5-7-9-19-27/h11-18,26-28H,2-10,19-21H2,1H3
InChIKey BUWNFPIZFCVUQH-UHFFFAOYSA-N
Molecular Weight 430.647 g/mol
SMILES Oc1ccc(CC(SCCCCCCCCCCCO)c2ccc(cc2)OC)cc1
SPLASH splash10-0fmi-0893000000-e712e250f553abd6803c
Source of Spectrum E1-37-1122-37
Wiley ID 1575022