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1-Acetoxy-3-phenyl-1-(p-tolylsulfinylcyclohexyl)propane
SpectraBase Compound ID JrxG6Us1Tc2
InChI InChI=1S/C24H30O3S/c1-19-11-14-22(15-12-19)28(26)24(17-7-4-8-18-24)23(27-20(2)25)16-13-21-9-5-3-6-10-21/h3,5-6,9-12,14-15,23H,4,7-8,13,16-18H2,1-2H3
InChIKey NGQRBRRDKZOJMU-UHFFFAOYSA-N
Mol Weight 398.56 g/mol
Molecular Formula C24H30O3S
Exact Mass 398.191566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PjCALTZm14
Name 1-Acetoxy-3-phenyl-1-(p-tolylsulfinylcyclohexyl)propane
Alternate Name(s) 1-{1-[(4-methylphenyl)sulfinyl]cyclohexyl}-3-phenylpropyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O3S
InChI InChI=1S/C24H30O3S/c1-19-11-14-22(15-12-19)28(26)24(17-7-4-8-18-24)23(27-20(2)25)16-13-21-9-5-3-6-10-21/h3,5-6,9-12,14-15,23H,4,7-8,13,16-18H2,1-2H3
InChIKey NGQRBRRDKZOJMU-UHFFFAOYSA-N
Molecular Weight 398.561 g/mol
SMILES C(CCc1ccccc1)(C1(CCCCC1)S(=O)c1ccc(cc1)C)OC(=O)C
SPLASH splash10-0007-9720000000-45e8d27d2c80ebf4d7d7
Source of Spectrum F-56-6232-22
Wiley ID 857998