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5-O-BENZOYL-1,2-O-ISOPROPYLIDENE-3-SPIRO-(4'-AMINO-2',3'-DIHYDRO-2'-N-METHYL-1',1'-DIOXIDE-ISOTHIAZOLYL)-ALPHA-D-RIBOFURANOSE
SpectraBase Compound ID BPHxL4Yv22C
InChI InChI=1S/C18H22N2O7S/c1-17(2)26-14-16(27-17)25-13(9-24-15(21)11-7-5-4-6-8-11)18(14)12(19)10-28(22,23)20(18)3/h4-8,10,13-14,16H,9,19H2,1-3H3/t13-,14+,16-,18-/m0/s1
InChIKey ZPKFVPNSNOEORE-KPEUIFRASA-N
Mol Weight 410.44 g/mol
Molecular Formula C18H22N2O7S
Exact Mass 410.114772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtqUCCABR3z
Name 5-O-BENZOYL-1,2-O-ISOPROPYLIDENE-3-SPIRO-(4'-AMINO-2',3'-DIHYDRO-2'-N-METHYL-1',1'-DIOXIDE-ISOTHIAZOLYL)-ALPHA-D-RIBOFURANOSE
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O7S
InChI InChI=1S/C18H22N2O7S/c1-17(2)26-14-16(27-17)25-13(9-24-15(21)11-7-5-4-6-8-11)18(14)12(19)10-28(22,23)20(18)3/h4-8,10,13-14,16H,9,19H2,1-3H3/t13-,14+,16-,18-/m0/s1
InChIKey ZPKFVPNSNOEORE-KPEUIFRASA-N
Literature Reference Author L.DOMINGUEZ,A.N.V.NHIEN,C.TOMASSI,C.LEN,D.POSTEL,J.MARCO-CON TELLES
Literature Reference Citation J.ORG.CHEM.,69,843(2004)
Literature Reference DOI 10.1021/jo035301g
Molecular Weight 410.442 g/mol
Solvent CDCl3
Source File Reference UWVN21579