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1-Dodecylsulfanylpropyl trans-4-phenylcyclohexyl ether
SpectraBase Compound ID FMBSEXaBjMq
InChI InChI=1S/C27H46OS/c1-3-5-6-7-8-9-10-11-12-16-23-29-27(4-2)28-26-21-19-25(20-22-26)24-17-14-13-15-18-24/h13-15,17-18,25-27H,3-12,16,19-23H2,1-2H3/t25-,26-,27?
InChIKey COSRXQRSUCRDKQ-KKFOSYPRSA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46OS
Exact Mass 418.326937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7F1rsRv89YY
Name 1-Dodecylsulfanylpropyl trans-4-phenylcyclohexyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46OS
InChI InChI=1S/C27H46OS/c1-3-5-6-7-8-9-10-11-12-16-23-29-27(4-2)28-26-21-19-25(20-22-26)24-17-14-13-15-18-24/h13-15,17-18,25-27H,3-12,16,19-23H2,1-2H3/t25-,26-,27?
InChIKey COSRXQRSUCRDKQ-KKFOSYPRSA-N
Literature Reference DOI 10.1002/anie.201309984
Molecular Weight 418.724 g/mol
SMILES C1[C@](CC[C@](OC(SCCCCCCCCCCCC)CC)(C1)[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-3900000000-25e25d13117565a42dcd
Source of Spectrum ACI-53-SMS21-7
Synonyms Dodecyl(1-(((1r,4r)-4-phenylcyclohexyl)oxy)propyl)sulfane
Wiley ID 1782080