Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/2C16H20N4O2.2BF4.Cu/c2*1-19(2)16(20(3)4)18-12-8-6-7-11-9-10-13(15(21)22-5)17-14(11)12;2*2-1(3,4)5;/h2*6-10H,1-5H3;;;/q;;2*-1;+2
SMILES F[B-](F)(F)F.F[B-](F)(F)F.COC(=O)c1ccc2c(n1)c(ccc2)N=C(N(C)C)N(C)C.COC(=O)c1ccc2c(n1)c(ccc2)N=C(N(C)C)N(C)C.[Cu+2]
InChI Key GQFHEVHUGUNLCC-UHFFFAOYSA-N
Molecular Formula C32H40B2CuF8N8O4
Exact Mass 837.866 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GQFHEVHUGUNLCC-UHFFFAOYSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/GQFHEVHUGUNLCC-UHFFFAOYSA-N/CHMO0000763
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:21:14.181104
MetadataModified 2024-09-07T21:59:48.846932
MetadataPublished 2022-03-14
Related Molecule
Field Value
Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
162677543 PubChem
The data in this table is sourced from UniChem at EBI.