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Toluene-4-sulfonic acid (S)-4-benzyloxymethyl-2,2-dimethyl-[1,3]dioxan-5-yl ester
SpectraBase Compound ID 6OD7FsoZvAE
InChI InChI=1S/C21H26O6S/c1-16-9-11-18(12-10-16)28(22,23)27-20-15-25-21(2,3)26-19(20)14-24-13-17-7-5-4-6-8-17/h4-12,19-20H,13-15H2,1-3H3/t19-,20?/m0/s1
InChIKey WKPITQUGBKRNLD-XJDOXCRVSA-N
Mol Weight 406.49 g/mol
Molecular Formula C21H26O6S
Exact Mass 406.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIzCh9hNScY
Name Toluene-4-sulfonic acid (S)-4-benzyloxymethyl-2,2-dimethyl-[1,3]dioxan-5-yl ester
Alternate Name(s) (4S)-4-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxan-5-yl 4-methylbenzenesulfonate 2,2-Dimethyl-4-[(benzyloxy]methyl]-1,3-dioxan-5-yl p-toluenesulfonate
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Formula C21H26O6S
InChI InChI=1S/C21H26O6S/c1-16-9-11-18(12-10-16)28(22,23)27-20-15-25-21(2,3)26-19(20)14-24-13-17-7-5-4-6-8-17/h4-12,19-20H,13-15H2,1-3H3/t19-,20?/m0/s1
InChIKey WKPITQUGBKRNLD-XJDOXCRVSA-N
Molecular Weight 406.493 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)[C@@](OC(OC1)(C)C)(COCc1ccccc1)[H]
SPLASH splash10-052f-9810000000-55e394cf3745b85d32fc
Source of Spectrum U1-1998-2844-6
Wiley ID 752038