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(2-cyclohexyl-2-phenyl-ethyl) 4-methylbenzenesulfonate
SpectraBase Compound ID 22PJaprQrAD
InChI InChI=1S/C21H26O3S/c1-17-12-14-20(15-13-17)25(22,23)24-16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,21H,3,6-7,10-11,16H2,1H3
InChIKey MNGBFVCDHZDSSK-UHFFFAOYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C21H26O3S
Exact Mass 358.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4W0AhbkZdR
Name (2-cyclohexyl-2-phenyl-ethyl) 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid (2-cyclohexyl-2-phenyl-ethyl) ester 4-Methylbenzenesulfonic acid (2-cyclohexyl-2-phenylethyl) ester
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Formula C21H26O3S
InChI InChI=1S/C21H26O3S/c1-17-12-14-20(15-13-17)25(22,23)24-16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,21H,3,6-7,10-11,16H2,1H3
InChIKey MNGBFVCDHZDSSK-UHFFFAOYSA-N
Molecular Weight 358.496 g/mol
SMILES C(C(c1ccccc1)C1CCCCC1)OS(=O)(=O)c1ccc(C)cc1
SPLASH splash10-0f7c-3900000000-cc5a25ab73a359a9cd6b
Source of Spectrum E1-37-3806-47
Wiley ID 1575421