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7-(1''-Ethoxyethoxy)-1-[1'-(phenylsulfanyl)cyclohexyl]heptanol
SpectraBase Compound ID InWhGeW0BGQ
InChI InChI=1S/C23H38O3S/c1-3-25-20(2)26-19-13-5-4-10-16-22(24)23(17-11-7-12-18-23)27-21-14-8-6-9-15-21/h6,8-9,14-15,20,22,24H,3-5,7,10-13,16-19H2,1-2H3
InChIKey JYXNDMDPVPTJCX-UHFFFAOYSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O3S
Exact Mass 394.254166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFaSBtSCPaE
Name 7-(1''-Ethoxyethoxy)-1-[1'-(phenylsulfanyl)cyclohexyl]heptanol
Alternate Name(s) 7-(1-ethoxyethoxy)-1-[1-(phenylsulfanyl)cyclohexyl]-1-heptanol
Comments Less than 3 mono-isotopic peaks
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Formula C23H38O3S
InChI InChI=1S/C23H38O3S/c1-3-25-20(2)26-19-13-5-4-10-16-22(24)23(17-11-7-12-18-23)27-21-14-8-6-9-15-21/h6,8-9,14-15,20,22,24H,3-5,7,10-13,16-19H2,1-2H3
InChIKey JYXNDMDPVPTJCX-UHFFFAOYSA-N
Molecular Weight 394.614 g/mol
SMILES OC(C1(Sc2ccccc2)CCCCC1)CCCCCCOC(OCC)C
SPLASH splash10-00dj-9006000000-272af6c98a4dc4ff3fe2
Source of Spectrum KC-0-2780-37
Wiley ID 829089