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(E,3R)-2,2,6,6-tetramethyl-4-(4-methylphenyl)sulfonyl-4-hepten-3-ol
SpectraBase Compound ID CRLG7BbkDne
InChI InChI=1S/C18H28O3S/c1-13-8-10-14(11-9-13)22(20,21)15(12-17(2,3)4)16(19)18(5,6)7/h8-12,16,19H,1-7H3/b15-12+/t16-/m0/s1
InChIKey IGCDTVXCNDOHFP-STTHAQSSSA-N
Mol Weight 324.48 g/mol
Molecular Formula C18H28O3S
Exact Mass 324.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99zc84rIed
Name (E,3R)-2,2,6,6-tetramethyl-4-(4-methylphenyl)sulfonyl-4-hepten-3-ol
Alternate Name(s) (E,3R)-2,2,6,6-tetramethyl-4-(4-methylphenyl)sulfonyl-hept-4-en-3-ol (E,3R)-2,2,6,6-tetramethyl-4-(p-tolylsulfonyl)hept-4-en-3-ol (E,3R)-2,2,6,6-tetramethyl-4-tosyl-hept-4-en-3-ol
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Formula C18H28O3S
InChI InChI=1S/C18H28O3S/c1-13-8-10-14(11-9-13)22(20,21)15(12-17(2,3)4)16(19)18(5,6)7/h8-12,16,19H,1-7H3/b15-12+/t16-/m0/s1
InChIKey IGCDTVXCNDOHFP-STTHAQSSSA-N
Molecular Weight 324.479 g/mol
SMILES O[C@@](\C(S(c1ccc(cc1)C)(=O)=O)=C/C(C)(C)C)(C(C)(C)C)[H]
SPLASH splash10-0cdu-0920000000-103158192ef2f6a9fad4
Source of Spectrum KC-1993-72-11
Wiley ID 778741