John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10dU1yxoIoy SpectraBase Spectrum ID=1iWn7d8nYPg

(accessed ).
2-[4-[(3S*,4S*)-3-NITRO-4-PHENYLPYRROLIDIN-1-YL]-PHENYL]-4H-CHROMEN-4-ONE
SpectraBase Compound ID 10dU1yxoIoy
InChI InChI=1S/C25H20N2O4/c28-23-14-25(31-24-9-5-4-8-20(23)24)18-10-12-19(13-11-18)26-15-21(22(16-26)27(29)30)17-6-2-1-3-7-17/h1-14,21-22H,15-16H2/t21-,22+/m1/s1
InChIKey FXZXNPMKJLTXNY-YADHBBJMSA-N
Mol Weight 412.45 g/mol
Molecular Formula C25H20N2O4
Exact Mass 412.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iWn7d8nYPg
Name 2-[4-[(3S*,4S*)-3-NITRO-4-PHENYLPYRROLIDIN-1-YL]-PHENYL]-4H-CHROMEN-4-ONE
Compound Number 12C
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H20N2O4
InChI InChI=1S/C25H20N2O4/c28-23-14-25(31-24-9-5-4-8-20(23)24)18-10-12-19(13-11-18)26-15-21(22(16-26)27(29)30)17-6-2-1-3-7-17/h1-14,21-22H,15-16H2/t21-,22+/m1/s1
InChIKey FXZXNPMKJLTXNY-YADHBBJMSA-N
Literature Reference Author R.M.S.SOUSA,D.C.G.A.PINTO,A.M.S.SILVA,V.V.SERRA,A.I.R.N.A.BA RROS,M.A.F.FAUSTINO,
Literature Reference Citation EUR.J.ORG.CHEM.,2012,132(2012)
Literature Reference DOI 10.1002/ejoc.201101185
Molecular Weight 412.445 g/mol
Solvent CDCl3
Source File Reference UWLU83398
SpectraBase Batch ID 38SaQR5FJso