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2-Oxabicyclo[3.2.1]octan-3-one, 6-[[(4-methylphenyl)sulfonyl]oxy]-8-(2-phenylethyl)-, (exo,anti)-
SpectraBase Compound ID KM2AIDgxNE1
InChI InChI=1S/C22H24O5S/c1-15-7-10-17(11-8-15)28(24,25)27-21-14-20-18(19(21)13-22(23)26-20)12-9-16-5-3-2-4-6-16/h2-8,10-11,18-21H,9,12-14H2,1H3
InChIKey HPSBTALURAJNQX-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C22H24O5S
Exact Mass 400.134445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53dFcvsQ52
Name 2-Oxabicyclo[3.2.1]octan-3-one, 6-[[(4-methylphenyl)sulfonyl]oxy]-8-(2-phenylethyl)-, (exo,anti)-
Alternate Name(s) 3-Oxo-8-(2-phenylethyl)-2-oxabicyclo[3.2.1]oct-6-yl 4-methylbenzenesulfonate r-6-exo-p-toluenesulfonyloxy-8-syn-(.beta.-phenylethyl)-2-oxa-bicyclo[3.2.1]octane-3-one
CAS Registry Number 57803-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O5S
InChI InChI=1S/C22H24O5S/c1-15-7-10-17(11-8-15)28(24,25)27-21-14-20-18(19(21)13-22(23)26-20)12-9-16-5-3-2-4-6-16/h2-8,10-11,18-21H,9,12-14H2,1H3
InChIKey HPSBTALURAJNQX-UHFFFAOYSA-N
Molecular Weight 400.489 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C2C(CCc3ccccc3)C(C1)OC(C2)=O
SPLASH splash10-0f6x-6910000000-a8b98e8ba620637845c0
Source of Spectrum AN-84-826-0
Wiley ID 1369388