IR Data for Compound 33.

DOI: 10.14469/hpc/11614 Metadata

Created: 2022-10-26 20:14

Last modified: 2024-04-01 15:02

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

IR data for Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium (33)

Files

FilenameSizeTypeDescription
TM-VI-138_2021-10-27T13-33-21.pdf 61KB application/pdf IR Spectrum as PDF
33.png 49KB image/png Image structure representation
33.cdxml 26KB chemical/x-cdxml Chemdraw connection table
33.mol 9KB chemical/x-mdl-molfile MDL Molfile

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DOIDescription
10.14469/hpc/11372 Compound 33: Tetrakis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)zirconium

Subject Keywords

KeywordValue
IFD.IR IR Spectrum
inchi InChI=1S/4C14H16N2O4.Zr/c4*1-3-20-14(18)12-8-15-16(13(12)17)9-10-4-6-11(19-2)7-5-10;/h4*4-8,17H,3,9H2,1-2H3;/q;;;;+4/p-4
inchikey NBCBVPABRHVLHH-UHFFFAOYSA-J
SMILES CCOC(C(C=N1)=C(O2)N1CC3=CC=C(OC)C=C3)=O[Zr]4256(O=C(OCC)C(C=N7)=C(O5)N7CC8=CC=C(OC)C=C8)(O=C(OCC)C(C=N9)=C(O6)N9CC%10=CC=C(OC)C=C%10)OC%11=C(C(OCC)=O4)C=NN%11CC%12=CC=C(OC)C=C%12

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