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2-Dodecylsulfanylpropyl cis-4-phenylcyclohexyl ether
SpectraBase Compound ID D68JFjGcOVC
InChI InChI=1S/C27H46OS/c1-3-4-5-6-7-8-9-10-11-15-22-29-24(2)23-28-27-20-18-26(19-21-27)25-16-13-12-14-17-25/h12-14,16-17,24,26-27H,3-11,15,18-23H2,1-2H3/t24?,26-,27+
InChIKey POPUYUKMGMDNLJ-AHQDKWRSSA-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 2rBM4YbPoSD
Name 2-Dodecylsulfanylpropyl cis-4-phenylcyclohexyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46OS
InChI InChI=1S/C27H46OS/c1-3-4-5-6-7-8-9-10-11-15-22-29-24(2)23-28-27-20-18-26(19-21-27)25-16-13-12-14-17-25/h12-14,16-17,24,26-27H,3-11,15,18-23H2,1-2H3/t24?,26-,27+
InChIKey POPUYUKMGMDNLJ-AHQDKWRSSA-N
Literature Reference DOI 10.1002/anie.201309984
Molecular Weight 418.724 g/mol
SMILES C1[C@](CC[C@@](OCC(C)SCCCCCCCCCCCC)(C1)[H])(c1ccccc1)[H]
SPLASH splash10-054o-5390000000-111a2a8a0e90ca83d512
Source of Spectrum ACI-53-SMS20-(cis_6)
Synonyms Dodecyl(1-(((1s,4s)-4-phenylcyclohexyl)oxy)propan-2-yl)sulfane
Wiley ID 1782071