NMR Data for Tetrakis((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)zirconium (34), 13C, acetone-d6

DOI: 10.14469/hpc/11619 Metadata

Created: 2022-10-27 07:12

Last modified: 2023-05-10 15:43

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Primary NMR Data for Sample 34.

Files

FilenameSizeTypeDescription
34-in acetone-d6 13C.zip 374KB application/zip Bruker primary data archive
34-in acetone-d6 13C.mnpub 0 chemical/x-mnpub Mestrenova signature file for 34-in acetone-d6 13C.zip
34-in acetone-d6 13C.mnova 294KB chemical/x-mnova Mnova data archive
34-in acetone-d6 13C.mnpub 0 chemical/x-mnpub Mestrenova signature file for 34-in acetone-d6 13C.mnova
34-in acetone-d6 13C.jdx 167KB chemical/x-jcamp-dx JCAMP-DX spectrum
34-in acetone-d6 13C.pdf 73KB application/pdf Spectrum as PDF
34.png 45KB image/png Image structural representation
34.cdxml 20KB chemical/x-cdxml Chemdraw connection table
34.mol 7KB chemical/x-mdl-molfile MDL Molfile

Member of collection / collaboration

DOIDescription
10.14469/hpc/11617 NMR Data for Compound 34.

Subject Keywords

KeywordValue
inchi InChI=1S/4C12H12N2O3.Zr/c4*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;/h4*3-8,15H,2H2,1H3;/q;;;;+4/p-4
inchikey UANOGLBNQFBPFY-UHFFFAOYSA-J
NMR_Expt 1D
NMR_Nucleus 13C
NMR_Solvent acetone-d6
SMILES CCOC(C1=C(O2)N(C3=CC=CC=C3)N=C1)=O[Zr]4256(O=C(OCC)C7=C(O5)N(C8=CC=CC=C8)N=C7)(O=C(OCC)C9=C(O6)N(C%10=CC=CC=C%10)N=C9)OC%11=C(C(OCC)=O4)C=NN%11C%12=CC=CC=C%12

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