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3-[(1R)-3-oxidanylidenecyclohexyl]propyl 4-methylbenzenesulfonate
SpectraBase Compound ID CIZ2yYFZ9BJ
InChI InChI=1S/C16H22O4S/c1-13-7-9-16(10-8-13)21(18,19)20-11-3-5-14-4-2-6-15(17)12-14/h7-10,14H,2-6,11-12H2,1H3/t14-/m1/s1
InChIKey QCZNSOHSASMLTC-CQSZACIVSA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FLknm01XU
Name 3-[(1R)-3-oxidanylidenecyclohexyl]propyl 4-methylbenzenesulfonate
Alternate Name(s) 3-[(1R)-3-oxocyclohexyl]propyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid 3-[(1R)-3-ketocyclohexyl]propyl ester 4-Methylbenzenesulfonic acid 3-[(1R)-3-oxocyclohexyl]propyl ester
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Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-13-7-9-16(10-8-13)21(18,19)20-11-3-5-14-4-2-6-15(17)12-14/h7-10,14H,2-6,11-12H2,1H3/t14-/m1/s1
InChIKey QCZNSOHSASMLTC-CQSZACIVSA-N
Molecular Weight 310.408 g/mol
SMILES c1(S(=O)(=O)OCCC[C@@]2(CC(=O)CCC2)[H])ccc(cc1)C
SPLASH splash10-06r2-9401000000-c1f49f15042e97d464da
Source of Spectrum SO-0-926-26
Wiley ID 875504