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3-Dodecylsulfanylpropyl trans-4-phenylcyclohexyl ether
SpectraBase Compound ID 5dpEv7kBPNY
InChI InChI=1S/C27H46OS/c1-2-3-4-5-6-7-8-9-10-14-23-29-24-15-22-28-27-20-18-26(19-21-27)25-16-12-11-13-17-25/h11-13,16-17,26-27H,2-10,14-15,18-24H2,1H3/t26-,27-
InChIKey BGMMHXWWDGPCDP-MCZWQBSQSA-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 1rADckBJHPs
Name 3-Dodecylsulfanylpropyl trans-4-phenylcyclohexyl ether
Alternate Name(s) Dodecyl(3-(((1r,4r)-4-phenylcyclohexyl)oxy)propyl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46OS
InChI InChI=1S/C27H46OS/c1-2-3-4-5-6-7-8-9-10-14-23-29-24-15-22-28-27-20-18-26(19-21-27)25-16-12-11-13-17-25/h11-13,16-17,26-27H,2-10,14-15,18-24H2,1H3/t26-,27-
InChIKey BGMMHXWWDGPCDP-MCZWQBSQSA-N
Literature Reference DOI 10.1002/anie.201309984
Molecular Weight 418.724 g/mol
SMILES C1[C@](CC[C@](OCCCSCCCCCCCCCCCC)(C1)[H])(c1ccccc1)[H]
SPLASH splash10-0a4l-4950000000-4aeb7aca64f45c7b7823
Source of Spectrum ACI-53-SMS18-(trans_5)
Wiley ID 1782073