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anti-(4S,6S)-4-[(1S,4R)-2-Oxobornane-10-sulfenyl]-6-dodecanol
SpectraBase Compound ID AyxLzsGa7UN
InChI InChI=1S/C22H40O2S/c1-5-7-8-9-11-18(23)15-19(10-6-2)25-16-22-13-12-17(14-20(22)24)21(22,3)4/h17-19,23H,5-16H2,1-4H3/t17-,18+,19+,22-/m1/s1
InChIKey DCBCYRWASLLLCI-MDPIYQRISA-N
Mol Weight 368.6 g/mol
Molecular Formula C22H40O2S
Exact Mass 368.274902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3p6sqy2bA6
Name anti-(4S,6S)-4-[(1S,4R)-2-Oxobornane-10-sulfenyl]-6-dodecanol
Alternate Name(s) (1S,4R)-1-({[(1S,3S)-3-hydroxy-1-propylnonyl]sulfanyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40O2S
InChI InChI=1S/C22H40O2S/c1-5-7-8-9-11-18(23)15-19(10-6-2)25-16-22-13-12-17(14-20(22)24)21(22,3)4/h17-19,23H,5-16H2,1-4H3/t17-,18+,19+,22-/m1/s1
InChIKey DCBCYRWASLLLCI-MDPIYQRISA-N
Molecular Weight 368.620 g/mol
SMILES O[C@](C[C@](CCC)(SC[C@]12C(C[C@@](CC2)(C1(C)C)[H])=O)[H])(CCCCCC)[H]
SPLASH splash10-0aor-9300000000-8dfaeb433604fdb9bc77
Source of Spectrum KD-15-900-4
Wiley ID 1636853