IR Data for Compound 25.

DOI: 10.14469/hpc/11608 Metadata

Created: 2022-10-26 20:02

Last modified: 2024-04-02 06:58

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

IR Data for Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer (25)

Files

FilenameSizeTypeDescription
TM-VI-171_2021-11-24T15-53-04.pdf 63KB application/pdf IR Spectrum
25.png 52KB image/png Image structural representation
25.cdxml 29KB chemical/x-cdxml Chemdraw connection table
25.mol 11KB chemical/x-mdl-molfile MDL Molfile

Member of collection / collaboration

DOIDescription
10.14469/hpc/11360 Compound 25: Tris((4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)scandium ethanol dimer

Subject Keywords

KeywordValue
IFD.IR IR Spectrum
inchi InChI=1S/4C18H16N2O3.2C2H5O.2Sc/c4*1-23-15-9-7-13(8-10-15)12-20-18(22)16(11-19-20)17(21)14-5-3-2-4-6-14;2*1-2-3;;/h4*2-11,22H,12H2,1H3;2*2H2,1H3;;/q;;;;;;2*+2/p-4
inchikey BGSWXYXFMGAYJB-UHFFFAOYSA-J
SMILES CCO1[Sc]23(OC4=C(C(C5=CC=CC=C5)=O2)C=NN4CC6=CC=C(OC)C=C6)(O(CC)[Sc]7(O=C8C9=CC=CC=C9)(OC%10=C8C=NN%10CC%11=CC=C(OC)C=C%11)1OC%12=C(C=NN%12CC%13=CC=C(OC)C=C%13)C(C%14=CC=CC=C%14)=O7)O=C(C%15=CC=CC=C%15)C(C=N%16)=C(O3)N%16CC%17=CC=C(OC)C=C%17

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