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2,4-Dithiabicyclo[3.2.1]octan-6-ol, 3-(4-methoxyphenyl)-7-propyl-, (3-exo,6-exo,7-endo)-(.+-.)-
SpectraBase Compound ID 4WpERHLvZE4
InChI InChI=1S/C16H22O2S2/c1-3-4-12-13-9-14(15(12)17)20-16(19-13)10-5-7-11(18-2)8-6-10/h5-8,12-17H,3-4,9H2,1-2H3/t12?,13-,14+,15+,16-/m0/s1
InChIKey XGJOXVCORHOQPW-GZPFGDLZSA-N
Mol Weight 310.47 g/mol
Molecular Formula C16H22O2S2
Exact Mass 310.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFXD5iN571G
Name 2,4-Dithiabicyclo[3.2.1]octan-6-ol, 3-(4-methoxyphenyl)-7-propyl-, (3-exo,6-exo,7-endo)-(.+-.)-
CAS Registry Number 106470-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S2
InChI InChI=1S/C16H22O2S2/c1-3-4-12-13-9-14(15(12)17)20-16(19-13)10-5-7-11(18-2)8-6-10/h5-8,12-17H,3-4,9H2,1-2H3/t12?,13-,14+,15+,16-/m0/s1
InChIKey XGJOXVCORHOQPW-GZPFGDLZSA-N
Molecular Weight 310.470 g/mol
SMILES O[C@@]1(C([C@]2(S[C@@](S[C@]1([H])C2)(c1ccc(cc1)OC)[H])[H])CCC)[H]
SPLASH splash10-0uk9-0901000000-a65fcfdc0fbfa180105c
Source of Spectrum J-52-870-9
Synonyms (1S,3S,5R,6R)-3-(4-methoxyphenyl)-7-propyl-2,4-dithiabicyclo[3.2.1]octan-6-ol (1SR,3SR,5RS,6RS,7RS)-6-hydroxy-3-(4-methoxy-phenyl)-7-propyl-2,4-dithiabicyclo[3.2.1]octane
Wiley ID 1311380