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(Ss,1R,2S,5R)-(-)-1-(2-Bromophenylsulfinyloxy)-2-isopropyl-5-methylcyclohexane
SpectraBase Compound ID 5T3ZyVFBLZl
InChI InChI=1S/C16H23BrO2S/c1-11(2)13-9-8-12(3)10-15(13)19-20(18)16-7-5-4-6-14(16)17/h4-7,11-13,15H,8-10H2,1-3H3/t12-,13+,15-,20?/m1/s1
InChIKey TUVCUGQFWZQMBT-LMAJGJASSA-N
Mol Weight 359.32 g/mol
Molecular Formula C16H23BrO2S
Exact Mass 358.060214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtPZ9MZ6NXU
Name (Ss,1R,2S,5R)-(-)-1-(2-Bromophenylsulfinyloxy)-2-isopropyl-5-methylcyclohexane
Alternate Name(s) (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-bromobenzenesulfinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23BrO2S
InChI InChI=1S/C16H23BrO2S/c1-11(2)13-9-8-12(3)10-15(13)19-20(18)16-7-5-4-6-14(16)17/h4-7,11-13,15H,8-10H2,1-3H3/t12-,13+,15-,20?/m1/s1
InChIKey TUVCUGQFWZQMBT-LMAJGJASSA-N
Molecular Weight 359.322 g/mol
SMILES c1([S@](O[C@]2([C@@](CC[C@](C2)(C)[H])(C(C)C)[H])[H])=O)c(Br)cccc1
SPLASH splash10-05gr-9241000000-674577e4ffe2e41a5f49
Source of Spectrum QC-10-1057-8
Wiley ID 871129