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1-{trans-4-[2-Fluoro-3-(phenylthio)propyl]cyclohexyl}-trans-4-(pentyl)cyclohexane
SpectraBase Compound ID ArSYd595ejQ
InChI InChI=1S/C26H41FS/c1-2-3-5-8-21-11-15-23(16-12-21)24-17-13-22(14-18-24)19-25(27)20-28-26-9-6-4-7-10-26/h4,6-7,9-10,21-25H,2-3,5,8,11-20H2,1H3/t21?,22-,23?,24-,25?
InChIKey WINYZVOUYDEKOB-UOCJPJTBSA-N
Mol Weight 404.7 g/mol
Molecular Formula C26H41FS
Exact Mass 404.291301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ANxLEAwpys
Name 1-{trans-4-[2-Fluoro-3-(phenylthio)propyl]cyclohexyl}-trans-4-(pentyl)cyclohexane
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Formula C26H41FS
InChI InChI=1S/C26H41FS/c1-2-3-5-8-21-11-15-23(16-12-21)24-17-13-22(14-18-24)19-25(27)20-28-26-9-6-4-7-10-26/h4,6-7,9-10,21-25H,2-3,5,8,11-20H2,1H3/t21?,22-,23?,24-,25?
InChIKey WINYZVOUYDEKOB-UOCJPJTBSA-N
Molecular Weight 404.672 g/mol
SMILES [C@]1(C2CCC(CC2)CCCCC)(CC[C@@](CC(CSc2ccccc2)F)(CC1)[H])[H]
SPLASH splash10-0i0r-9500200000-67d2fccf226264d11bf0
Source of Spectrum AJ-73-1638-3
Synonyms ({2-fluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]propyl}sulfanyl)benzene 1-{trans-4-[2-Fluoro-3-(phenylthio)propyl)cyclohexyl}-trans-4-(pentenyl)cyclohexane
Wiley ID 775514