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4-nitrobenzoic acid [(2R,4R,6S)-2-(1,3-dithian-2-ylmethyl)-6-(2-keto-2-methoxy-ethyl)tetrahydropyran-4-yl] ester
SpectraBase Compound ID 4O5a3mcMYVR
InChI InChI=1S/C20H25NO7S2/c1-26-18(22)11-16-9-15(10-17(27-16)12-19-29-7-2-8-30-19)28-20(23)13-3-5-14(6-4-13)21(24)25/h3-6,15-17,19H,2,7-12H2,1H3/t15-,16+,17-/m1/s1
InChIKey SSUKKCBDXJVZEL-IXDOHACOSA-N
Mol Weight 455.54 g/mol
Molecular Formula C20H25NO7S2
Exact Mass 455.107244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EX6wAP7XKSt
Name 4-nitrobenzoic acid [(2R,4R,6S)-2-(1,3-dithian-2-ylmethyl)-6-(2-keto-2-methoxy-ethyl)tetrahydropyran-4-yl] ester
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25NO7S2
InChI InChI=1S/C20H25NO7S2/c1-26-18(22)11-16-9-15(10-17(27-16)12-19-29-7-2-8-30-19)28-20(23)13-3-5-14(6-4-13)21(24)25/h3-6,15-17,19H,2,7-12H2,1H3/t15-,16+,17-/m1/s1
InChIKey SSUKKCBDXJVZEL-IXDOHACOSA-N
Literature Reference Author A.VAKALOPOULOS,H.M.R.HOFFMANN
Literature Reference Citation ORG.LETTERS,3,177(2001)
Literature Reference DOI 10.1021/ol006737a
Molecular Weight 455.541 g/mol
Solvent CDCl3
Source File Reference UWLU33637