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1-(12-HYDROXYDODECYL-1-PHENYLSULFONYL)-2,6,6-TRIMETHYL-1-CYCLOHEXENE
SpectraBase Compound ID HDA0McxL1cP
InChI InChI=1S/C27H44O3S/c1-23-17-16-21-27(2,3)26(23)25(31(29,30)24-18-12-11-13-19-24)20-14-9-7-5-4-6-8-10-15-22-28/h11-13,18-19,25,28H,4-10,14-17,20-22H2,1-3H3
InChIKey YCOFHIBDHFHYTN-UHFFFAOYSA-N
Mol Weight 448.7 g/mol
Molecular Formula C27H44O3S
Exact Mass 448.301116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bUeRkkgVpR
Name 1-(12-HYDROXYDODECYL-1-PHENYLSULFONYL)-2,6,6-TRIMETHYL-1-CYCLOHEXENE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O3S
InChI InChI=1S/C27H44O3S/c1-23-17-16-21-27(2,3)26(23)25(31(29,30)24-18-12-11-13-19-24)20-14-9-7-5-4-6-8-10-15-22-28/h11-13,18-19,25,28H,4-10,14-17,20-22H2,1-3H3
InChIKey YCOFHIBDHFHYTN-UHFFFAOYSA-N
Literature Reference Author B.LUU,J.L.G.D.AGUILAR,C.GIRLANDA-JUNGES
Literature Reference Citation MOLECULES,5,1439(2000)
Literature Reference DOI 10.3390/51201439
Molecular Weight 448.705 g/mol
Solvent CDCl3
Source File Reference UWVN7331