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(4R,5R)-4-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylmethyl]-2-oxanone
SpectraBase Compound ID 1eBCRR511Cf
InChI InChI=1S/C20H22O6S2/c1-14-3-7-17(8-4-14)27(22,23)13-16-12-26-20(21)11-19(16)28(24,25)18-9-5-15(2)6-10-18/h3-10,16,19H,11-13H2,1-2H3/t16-,19-/m1/s1
InChIKey WWCKNEDTPFLIIG-VQIMIIECSA-N
Mol Weight 422.51 g/mol
Molecular Formula C20H22O6S2
Exact Mass 422.085781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GDOqAJu0Wz
Name (4R,5R)-4-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylmethyl]-2-oxanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6S2
InChI InChI=1S/C20H22O6S2/c1-14-3-7-17(8-4-14)27(22,23)13-16-12-26-20(21)11-19(16)28(24,25)18-9-5-15(2)6-10-18/h3-10,16,19H,11-13H2,1-2H3/t16-,19-/m1/s1
InChIKey WWCKNEDTPFLIIG-VQIMIIECSA-N
Molecular Weight 422.510 g/mol
SMILES [C@@]1(S(c2ccc(cc2)C)(=O)=O)([C@@](CS(c2ccc(cc2)C)(=O)=O)(COC(C1)=O)[H])[H]
SPLASH splash10-0f6x-9300000000-4747eb403b3ae8961aa4
Source of Spectrum F-50-6615-14
Synonyms (4R,5R)-4-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylmethyl]oxan-2-one (4R,5R)-4-(p-tolylsulfonyl)-5-(p-tolylsulfonylmethyl)tetrahydropyran-2-one (4R,5R)-4-tosyl-5-(tosylmethyl)tetrahydropyran-2-one
Wiley ID 1378485