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3,4-Dihydro-3,4-dihydroxy-2,2-dimethyl-3,4-trans-di(4-methylphenyl)-2H-1-benzothiopyran 1,1-dioxide
SpectraBase Compound ID Gg1jRWWpSkZ
InChI InChI=1S/C25H26O4S/c1-17-9-13-19(14-10-17)24(26)21-7-5-6-8-22(21)30(28,29)23(3,4)25(24,27)20-15-11-18(2)12-16-20/h5-16,26-27H,1-4H3/t24-,25-/m0/s1
InChIKey KMIYWKHOWMATQF-DQEYMECFSA-N
Mol Weight 422.54 g/mol
Molecular Formula C25H26O4S
Exact Mass 422.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ziq7eQuDbq
Name 3,4-Dihydro-3,4-dihydroxy-2,2-dimethyl-3,4-trans-di(4-methylphenyl)-2H-1-benzothiopyran 1,1-dioxide
Alternate Name(s) (3R,4S)-2,2-dimethyl-3,4-bis(4-methylphenyl)-3,4-dihydro-2H-1-benzothiopyran-3,4-diol 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O4S
InChI InChI=1S/C25H26O4S/c1-17-9-13-19(14-10-17)24(26)21-7-5-6-8-22(21)30(28,29)23(3,4)25(24,27)20-15-11-18(2)12-16-20/h5-16,26-27H,1-4H3/t24-,25-/m0/s1
InChIKey KMIYWKHOWMATQF-DQEYMECFSA-N
Molecular Weight 422.539 g/mol
SMILES O[C@]1(C(S(c2c([C@]1(c1ccc(cc1)C)O)cccc2)(=O)=O)(C)C)c1ccc(cc1)C
SPLASH splash10-03di-1910000000-f8e1408566387fd2ff98
Source of Spectrum SO-0-1099-3
Wiley ID 875740