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3-AMINO-5-O-BENZOYL-3-C-CYANO-3-DEOXY-3-N-ETHANESULFONYL-1,2-O-ISOPROPYLIDENE-ALPHA-D-RIBOFURANOSE
SpectraBase Compound ID BUCbW4VAAWv
InChI InChI=1S/C18H22N2O7S/c1-4-28(22,23)20-18(11-19)13(25-16-14(18)26-17(2,3)27-16)10-24-15(21)12-8-6-5-7-9-12/h5-9,13-14,16,20H,4,10H2,1-3H3/t13-,14+,16-,18-/m1/s1
InChIKey ZBQAXGSUCZEBNY-CXHZTBPHSA-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 SHxeB4KMfb
Name 3-AMINO-5-O-BENZOYL-3-C-CYANO-3-DEOXY-3-N-ETHANESULFONYL-1,2-O-ISOPROPYLIDENE-ALPHA-D-RIBOFURANOSE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O7S
InChI InChI=1S/C18H22N2O7S/c1-4-28(22,23)20-18(11-19)13(25-16-14(18)26-17(2,3)27-16)10-24-15(21)12-8-6-5-7-9-12/h5-9,13-14,16,20H,4,10H2,1-3H3/t13-,14+,16-,18-/m1/s1
InChIKey ZBQAXGSUCZEBNY-CXHZTBPHSA-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 UWVN21557