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2-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfinate
SpectraBase Compound ID Ij3rHdiz1cS
InChI InChI=1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3
InChIKey NQICGNSARVCSGJ-UHFFFAOYSA-N
Mol Weight 294.45 g/mol
Molecular Formula C17H26O2S
Exact Mass 294.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOiKaRgwtK
Name 2-Isopropyl-5-methylcyclohexyl 4-methylbenzenesulfinate
CAS Registry Number 98147-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O2S
InChI InChI=1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3
InChIKey NQICGNSARVCSGJ-UHFFFAOYSA-N
Molecular Weight 294.453 g/mol
SMILES c1(ccc(cc1)C)S(=O)OC1CC(C)CCC1C(C)C
SPLASH splash10-053u-9100000000-7b56b284b9ba94398061
Source of Spectrum CM-1999-10881-0
Synonyms 1-Benzenesulfinate-4-methyl, 2-(1-methylethyl)-5-methylcyclohexyl ester (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate (1S,3S,4R)-(+)-Menthyl (R)-p-toluenesulfinate (5-methyl-2-propan-2-yl-cyclohexyl) 4-methylbenzenesulfinate (S)-(-)-Menthyl toluene-4-sulfonate (2-isopropyl-5-methyl-cyclohexyl) 4-methylbenzenesulfinate 4-Methylbenzenesulfinic acid (5-methyl-2-propan-2-ylcyclohexyl) ester 4-Methylbenzenesulfinic acid (2-isopropyl-5-methyl-cyclohexyl) ester (5-methyl-2-propan-2-ylcyclohexyl) 4-methylbenzenesulfinate s-(-)-Menthyl toluene-4-sulfinate
Wiley ID 473235