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DIOCTYL-1-BENZYLPYRAZOLE-3,5-DICARBOXYLATE
SpectraBase Compound ID DNeSvD9mC8K
InChI InChI=1S/C28H42N2O4/c1-3-5-7-9-11-16-20-33-27(31)25-22-26(28(32)34-21-17-12-10-8-6-4-2)30(29-25)23-24-18-14-13-15-19-24/h13-15,18-19,22H,3-12,16-17,20-21,23H2,1-2H3
InChIKey DRIYWZOUBFODEX-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C28H42N2O4
Exact Mass 470.314458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9YRXzNUgt4Z
Name DIOCTYL-1-BENZYLPYRAZOLE-3,5-DICARBOXYLATE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42N2O4
InChI InChI=1S/C28H42N2O4/c1-3-5-7-9-11-16-20-33-27(31)25-22-26(28(32)34-21-17-12-10-8-6-4-2)30(29-25)23-24-18-14-13-15-19-24/h13-15,18-19,22H,3-12,16-17,20-21,23H2,1-2H3
InChIKey DRIYWZOUBFODEX-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 470.652 g/mol
Solvent Unknown
Source File Reference UWCP6367