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(1S,4R)-3-(Benzenesulfonyl)-4-isopropylcyclohex-2-en-1-ol
SpectraBase Compound ID 5o3WKoDS4F2
InChI InChI=1S/C15H20O3S/c1-11(2)14-9-8-12(16)10-15(14)19(17,18)13-6-4-3-5-7-13/h3-7,10-12,14,16H,8-9H2,1-2H3/t12-,14+/m0/s1
InChIKey FXLKKWLORCRFSY-GXTWGEPZSA-N
Mol Weight 280.38 g/mol
Molecular Formula C15H20O3S
Exact Mass 280.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YQ5x8YSetf
Name (1S,4R)-3-(Benzenesulfonyl)-4-isopropylcyclohex-2-en-1-ol
Alternate Name(s) (1S,4R)-3-(benzenesulfonyl)-4-propan-2-yl-1-cyclohex-2-enol (1S,4R)-3-(benzenesulfonyl)-4-propan-2-ylcyclohex-2-en-1-ol (1S,4R)-3-(benzenesulfonyl)-4-isopropyl-cyclohex-2-en-1-ol (1S,4R)-3-(phenylsulfonyl)-4-propan-2-yl-cyclohex-2-en-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C15H20O3S
InChI InChI=1S/C15H20O3S/c1-11(2)14-9-8-12(16)10-15(14)19(17,18)13-6-4-3-5-7-13/h3-7,10-12,14,16H,8-9H2,1-2H3/t12-,14+/m0/s1
InChIKey FXLKKWLORCRFSY-GXTWGEPZSA-N
Molecular Weight 280.382 g/mol
SMILES O[C@@]1(C=C(S(=O)(=O)c2ccccc2)[C@](CC1)(C(C)C)[H])[H]
SPLASH splash10-004i-9050000000-6935d4bdb6314bacda19
Source of Spectrum C-124-11097-12t-Pr
Wiley ID 1700893