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(E,3R)-2,2,6,6-tetramethyl-4-[(S)-(4-methylphenyl)sulfinyl]-4-hepten-3-ol
SpectraBase Compound ID HNEWLmXBYqE
InChI InChI=1S/C18H28O2S/c1-13-8-10-14(11-9-13)21(20)15(12-17(2,3)4)16(19)18(5,6)7/h8-12,16,19H,1-7H3/b15-12+/t16-,21?/m1/s1
InChIKey BJJPSVZDXNOHRY-PKKVBQMNSA-N
Mol Weight 308.48 g/mol
Molecular Formula C18H28O2S
Exact Mass 308.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2o6qgR8Khmp
Name (E,3R)-2,2,6,6-tetramethyl-4-[(S)-(4-methylphenyl)sulfinyl]-4-hepten-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2S
InChI InChI=1S/C18H28O2S/c1-13-8-10-14(11-9-13)21(20)15(12-17(2,3)4)16(19)18(5,6)7/h8-12,16,19H,1-7H3/b15-12+/t16-,21?/m1/s1
InChIKey BJJPSVZDXNOHRY-PKKVBQMNSA-N
Molecular Weight 308.480 g/mol
SMILES O[C@](\C([S@](c1ccc(cc1)C)=O)=C/C(C)(C)C)(C(C)(C)C)[H]
SPLASH splash10-0gvx-0910000000-5e44aeea8dea64ae1dec
Source of Spectrum KC-1993-71-7
Synonyms (E,3R)-2,2,6,6-tetramethyl-4-[(S)-(4-methylphenyl)sulfinyl]hept-4-en-3-ol (E,3R)-2,2,6,6-tetramethyl-4-[(S)-p-tolylsulfinyl]hept-4-en-3-ol (E,3S)-2,2,6,6-tetramethyl-4-[(S)-(4-methylphenyl)sulfinyl]-4-hepten-3-ol (E,3S)-2,2,6,6-tetramethyl-4-[(S)-(4-methylphenyl)sulfinyl]hept-4-en-3-ol
Wiley ID 778748