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 Google Search
Mol Weight	310.47 g/mol
Molecular Formula	C16H22O2S2
Exact Mass	310.106122 g/mol

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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)-(.+-.)-
Alternate Name(s)	(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
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
Wiley ID	1311380