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(1.alpha.,2.alpha.,4.beta.)-1-methoxy-4-methyl-2-[3-(phenylthio)propyl]bicyclo[2.2.2]oct-5-en-2-ol
SpectraBase Compound ID GKo5JJgqkFj
InChI InChI=1S/C19H26O2S/c1-17-10-12-19(21-2,13-11-17)18(20,15-17)9-6-14-22-16-7-4-3-5-8-16/h3-5,7-8,10,12,20H,6,9,11,13-15H2,1-2H3/t17-,18-,19+/m1/s1
InChIKey FWOWOCDQOQLSLG-QRVBRYPASA-N
Mol Weight 318.48 g/mol
Molecular Formula C19H26O2S
Exact Mass 318.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AL6MXf6cpWg
Name (1.alpha.,2.alpha.,4.beta.)-1-methoxy-4-methyl-2-[3-(phenylthio)propyl]bicyclo[2.2.2]oct-5-en-2-ol
CAS Registry Number 67316-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O2S
InChI InChI=1S/C19H26O2S/c1-17-10-12-19(21-2,13-11-17)18(20,15-17)9-6-14-22-16-7-4-3-5-8-16/h3-5,7-8,10,12,20H,6,9,11,13-15H2,1-2H3/t17-,18-,19+/m1/s1
InChIKey FWOWOCDQOQLSLG-QRVBRYPASA-N
Molecular Weight 318.475 g/mol
SMILES O[C@]1([C@@]2(C=C[C@@](CC2)(C)C1)OC)CCCSc1ccccc1
SPLASH splash10-05fr-0901000000-f1dee580793829ad7f94
Source of Spectrum J-43-4066-0
Synonyms (1R,2R,4R)-1-methoxy-4-methyl-2-[3-(phenylsulfanyl)propyl]bicyclo[2.2.2]oct-5-en-2-ol
Wiley ID 1318603