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QNNLHEVWPUVESR-PLACYPQZSA-N

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QNNLHEVWPUVESR-PLACYPQZSA-N
SpectraBase Compound ID 1GARjqHTiMM
InChI InChI=1S/C21H25N3O7/c1-13(25)28-12-19(30-14(2)26)20-21(31-15(3)27)18(9-17-10-22-23-24(17)20)29-11-16-7-5-4-6-8-16/h4-8,10,18-21H,9,11-12H2,1-3H3/t18-,19+,20-,21-/m1/s1
InChIKey QNNLHEVWPUVESR-PLACYPQZSA-N
Mol Weight 431.45 g/mol
Molecular Formula C21H25N3O7
Exact Mass 431.16925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IV2g4drgkU
Name QNNLHEVWPUVESR-PLACYPQZSA-N
Compound Number 54
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25N3O7
InChI InChI=1S/C21H25N3O7/c1-13(25)28-12-19(30-14(2)26)20-21(31-15(3)27)18(9-17-10-22-23-24(17)20)29-11-16-7-5-4-6-8-16/h4-8,10,18-21H,9,11-12H2,1-3H3/t18-,19+,20-,21-/m1/s1
InChIKey QNNLHEVWPUVESR-PLACYPQZSA-N
Literature Reference Author J.MARCO-CONTELLES,M.RODRIGUEZ-FERNANDEZ
Literature Reference Citation J.ORG.CHEM.,66,3717(2001)
Literature Reference DOI 10.1021/jo001550i
Molecular Weight 431.445 g/mol
Solvent CDCl3
Source File Reference UWMS27337