For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3,5-BIS-(3',6'-DIOXAHEPTYL)-1-BENZYLPYRAZOLE-3,5-DICARBOXYLATE
SpectraBase Compound ID FalyJKt7SV6
InChI InChI=1S/C22H30N2O8/c1-27-8-10-29-12-14-31-21(25)19-16-20(22(26)32-15-13-30-11-9-28-2)24(23-19)17-18-6-4-3-5-7-18/h3-7,16H,8-15,17H2,1-2H3
InChIKey TWTCQRXKFMMGCU-UHFFFAOYSA-N
Mol Weight 450.49 g/mol
Molecular Formula C22H30N2O8
Exact Mass 450.200216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HdvgZ6VeXjY
Name 3,5-BIS-(3',6'-DIOXAHEPTYL)-1-BENZYLPYRAZOLE-3,5-DICARBOXYLATE
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N2O8
InChI InChI=1S/C22H30N2O8/c1-27-8-10-29-12-14-31-21(25)19-16-20(22(26)32-15-13-30-11-9-28-2)24(23-19)17-18-6-4-3-5-7-18/h3-7,16H,8-15,17H2,1-2H3
InChIKey TWTCQRXKFMMGCU-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 450.489 g/mol
Solvent CDCl3
Source File Reference UWCP6383