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Furo[2,3-d]-1,3-dioxol-6-ol, 5-(1H-benzimidazol-2-yl)tetrahydro-2,2-dimethyl-, 4-methylbenzenesulfonate (ester), [3aR-(3a.alpha.,5.alpha.,6.alpha.,6a.alpha.)]-
SpectraBase Compound ID KDd6PiabQec
InChI InChI=1S/C21H22N2O6S/c1-12-8-10-13(11-9-12)30(24,25)29-16-17(26-20-18(16)27-21(2,3)28-20)19-22-14-6-4-5-7-15(14)23-19/h4-11,16-18,20H,1-3H3,(H,22,23)/t16-,17-,18+,20+/m0/s1
InChIKey GFIXVFCVMQCIEC-PNYFIKQUSA-N
Mol Weight 430.48 g/mol
Molecular Formula C21H22N2O6S
Exact Mass 430.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID duGAyxn7rG
Name Furo[2,3-d]-1,3-dioxol-6-ol, 5-(1H-benzimidazol-2-yl)tetrahydro-2,2-dimethyl-, 4-methylbenzenesulfonate (ester), [3aR-(3a.alpha.,5.alpha.,6.alpha.,6a.alpha.)]-
CAS Registry Number 71478-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O6S
InChI InChI=1S/C21H22N2O6S/c1-12-8-10-13(11-9-12)30(24,25)29-16-17(26-20-18(16)27-21(2,3)28-20)19-22-14-6-4-5-7-15(14)23-19/h4-11,16-18,20H,1-3H3,(H,22,23)/t16-,17-,18+,20+/m0/s1
InChIKey GFIXVFCVMQCIEC-PNYFIKQUSA-N
Molecular Weight 430.475 g/mol
SMILES [nH]1c2ccccc2nc1[C@@]1([C@@]([C@@]2([C@](OC(O2)(C)C)([H])O1)[H])(OS(c1ccc(cc1)C)(=O)=O)[H])[H]
SPLASH splash10-0007-4931100000-410b2c03dc85378ff6d6
Source of Spectrum H-62-1301-0
Synonyms (3aR,5R,6S,6aR)-5-(1H-benzimidazol-2-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl 4-methylbenzenesulfonate 2-(1,2-O-isopropylidene-3-O-tosyl-4-.alpha.-D-xylotetrafurannosyl)benzoimidazole
Wiley ID 1381434