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4-HYDROXY-[1'-(PHENYLSULFANYL)-CYCLOHEXYL]-1-SULFANYLBUTANE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-HYDROXY-[1'-(PHENYLSULFANYL)-CYCLOHEXYL]-1-SULFANYLBUTANE
SpectraBase Compound ID 3N2mp3kCWdR
InChI InChI=1S/C16H24OS2/c17-15(10-7-13-18)16(11-5-2-6-12-16)19-14-8-3-1-4-9-14/h1,3-4,8-9,15,17-18H,2,5-7,10-13H2
InChIKey NQRGOXXREPFIFP-UHFFFAOYSA-N
Mol Weight 296.49 g/mol
Molecular Formula C16H24OS2
Exact Mass 296.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7onBk0Zl3UX
Name 1-(1-phenylsulfanylcyclohexyl)-4-sulfanyl-butan-1-ol
Alternate Name(s) 4-Mercapto-1-[1-(phenylthio)cyclohexyl]-1-butanol 4-Mercapto-1-[1-(phenylthio)cyclohexyl]butan-1-ol
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Formula C16H24OS2
InChI InChI=1S/C16H24OS2/c17-15(10-7-13-18)16(11-5-2-6-12-16)19-14-8-3-1-4-9-14/h1,3-4,8-9,15,17-18H,2,5-7,10-13H2
InChIKey NQRGOXXREPFIFP-UHFFFAOYSA-N
Molecular Weight 296.487 g/mol
SMILES OC(CCCS)C1(Sc2ccccc2)CCCCC1
SPLASH splash10-01ow-2960000000-3a145eecb8584245adf2
Source of Spectrum KC-0-2786-4
Wiley ID 829078