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Cyclohexanebutanoic acid, 2-methyl-3-oxo-, 1-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]propyl ester, [1R-[1.alpha.(1R*,2S*),2.beta.]]-
SpectraBase Compound ID 2cUMmUcwop3
InChI InChI=1S/C22H32O6S/c1-15-11-13-20(14-12-15)29(25,26)28-18(4)17(3)27-22(24)10-6-8-19-7-5-9-21(23)16(19)2/h11-14,16-19H,5-10H2,1-4H3/t16-,17?,18?,19-/m0/s1
InChIKey WVXHLVPSKMGLHS-RGVPCPSESA-N
Mol Weight 424.6 g/mol
Molecular Formula C22H32O6S
Exact Mass 424.19196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGSKUAuYxuF
Name Cyclohexanebutanoic acid, 2-methyl-3-oxo-, 1-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]propyl ester, [1R-[1.alpha.(1R*,2S*),2.beta.]]-
CAS Registry Number 90846-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O6S
InChI InChI=1S/C22H32O6S/c1-15-11-13-20(14-12-15)29(25,26)28-18(4)17(3)27-22(24)10-6-8-19-7-5-9-21(23)16(19)2/h11-14,16-19H,5-10H2,1-4H3/t16-,17?,18?,19-/m0/s1
InChIKey WVXHLVPSKMGLHS-RGVPCPSESA-N
Molecular Weight 424.552 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(C(OC(=O)CCC[C@]1([C@@](C(=O)CCC1)(C)[H])[H])C)C
SPLASH splash10-06r6-6900000000-c313ba11746f2c75d536
Source of Spectrum H-67-841-0
Synonyms (1R,2S)-1-methyl-2-tosyloxypropyl-4-[(1'S)-2'-methyl-3'-oxocyclohexyl]butyrate 1-Methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-[(1S,2S)-2-methyl-3-oxocyclohexyl]butanoate
Wiley ID 1379226