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/2C16H20N4O2.2CHF3O3S.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)8(5,6)7;/h2*6-10H,1-5H3;2*(H,5,6,7);/q;;;;+2/p-2
SMILES FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(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 UMXPYYQOWKEUHU-UHFFFAOYSA-L
Molecular Formula C34H40CuF6N8O10S2
Exact Mass 962.395 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UMXPYYQOWKEUHU-UHFFFAOYSA-L/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/UMXPYYQOWKEUHU-UHFFFAOYSA-L/CHMO0000763
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:21:17.282528
MetadataModified 2024-09-07T21:59:51.290126
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
162677544 PubChem
The data in this table is sourced from UniChem at EBI.