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5-(3',6',9'-TRIOXADECYL)-3-ETHYL-1-BENZYLPYRAZOLE-3,5-DICARBOXYLATE
SpectraBase Compound ID LKllufolh6S
InChI InChI=1S/C21H28N2O7/c1-3-29-20(24)18-15-19(23(22-18)16-17-7-5-4-6-8-17)21(25)30-14-13-28-12-11-27-10-9-26-2/h4-8,15H,3,9-14,16H2,1-2H3
InChIKey OVCCNGHPPNCODD-UHFFFAOYSA-N
Mol Weight 420.46 g/mol
Molecular Formula C21H28N2O7
Exact Mass 420.189651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtzHQljSrsv
Name 5-(3',6',9'-TRIOXADECYL)-3-ETHYL-1-BENZYLPYRAZOLE-3,5-DICARBOXYLATE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N2O7
InChI InChI=1S/C21H28N2O7/c1-3-29-20(24)18-15-19(23(22-18)16-17-7-5-4-6-8-17)21(25)30-14-13-28-12-11-27-10-9-26-2/h4-8,15H,3,9-14,16H2,1-2H3
InChIKey OVCCNGHPPNCODD-UHFFFAOYSA-N
Literature Reference Author M.FLERROS,M.I.RODRIGUEZ-FRANCO,P.NAVARRO,S.CONDE
Literature Reference Citation HETEROCYCLES,36,2019(1993)
Literature Reference DOI 10.3987/COM-93-6378
Molecular Weight 420.463 g/mol
Solvent CDCl3
Source File Reference UWCP6385