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(1'R,2S,3R)-2-METHYL-3-(1'-PHENYLETHOXY)-PENTA-1,5-DIYL-DI-(4-NITRO)-BENZOATE
SpectraBase Compound ID JShM6mSbkrR
InChI InChI=1S/C28H28N2O9/c1-19(18-38-28(32)23-10-14-25(15-11-23)30(35)36)26(39-20(2)21-6-4-3-5-7-21)16-17-37-27(31)22-8-12-24(13-9-22)29(33)34/h3-15,19-20,26H,16-18H2,1-2H3/t19-,20-,26-/m0/s1
InChIKey YTYWFGNLHKRHKS-DYLHXGEVSA-N
Mol Weight 536.54 g/mol
Molecular Formula C28H28N2O9
Exact Mass 536.17948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68lumpDua5y
Name (1'R,2S,3R)-2-METHYL-3-(1'-PHENYLETHOXY)-PENTA-1,5-DIYL-DI-(4-NITRO)-BENZOATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28N2O9
InChI InChI=1S/C28H28N2O9/c1-19(18-38-28(32)23-10-14-25(15-11-23)30(35)36)26(39-20(2)21-6-4-3-5-7-21)16-17-37-27(31)22-8-12-24(13-9-22)29(33)34/h3-15,19-20,26H,16-18H2,1-2H3/t19-,20-,26-/m0/s1
InChIKey YTYWFGNLHKRHKS-DYLHXGEVSA-N
Literature Reference Author M.TURKS,F.FONQUERNE,P.VOGEL
Literature Reference Citation ORG.LETTERS,6,1053(2004)
Literature Reference DOI 10.1021/ol0498646
Molecular Weight 536.538 g/mol
Sample ID 50207
Solvent CDCl3