John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KrfvsEU5ruD SpectraBase Spectrum ID=2WBef0WcVxY

(accessed ).
SYN-(1R*,2R*)-2-BENZYL-3,3-DIMETHOXY-1-(4'-NITROPHENYL)-1-PROPANOL
SpectraBase Compound ID KrfvsEU5ruD
InChI InChI=1S/C18H21NO5/c1-23-18(24-2)16(12-13-6-4-3-5-7-13)17(20)14-8-10-15(11-9-14)19(21)22/h3-11,16-18,20H,12H2,1-2H3/t16-,17+/m1/s1
InChIKey MCDDOZOARBXDJG-SJORKVTESA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WBef0WcVxY
Name SYN-(1R*,2R*)-2-BENZYL-3,3-DIMETHOXY-1-(4'-NITROPHENYL)-1-PROPANOL
Compound Number 4CE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-23-18(24-2)16(12-13-6-4-3-5-7-13)17(20)14-8-10-15(11-9-14)19(21)22/h3-11,16-18,20H,12H2,1-2H3/t16-,17+/m1/s1
InChIKey MCDDOZOARBXDJG-SJORKVTESA-N
Literature Reference Author M.YASUDA,S.Y.TANAKA,A.BABA
Literature Reference Citation ORG.LETTERS,7,1845(2005)
Literature Reference DOI 10.1021/ol050533i
Molecular Weight 331.368 g/mol
Sample ID 62102
Solvent CDCl3
SpectraBase Batch ID EnmXnObAozy