Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C21H48N10.2BrH.Cu/c1-25(2)19(26(3)4)22-13-16-31(17-14-23-20(27(5)6)28(7)8)18-15-24-21(29(9)10)30(11)12;;;/h13-18H2,1-12H3;2*1H;/q;;;+2/p-2
SMILES CN(C(=NCCN(CCN=C(N(C)C)N(C)C)CCN=C(N(C)C)N(C)C)N(C)C)C.[Cu+2].[Br-].[Br-]
InChI Key PIQUIJJCADCIDM-UHFFFAOYSA-L
Molecular Formula C21H48Br2CuN10
Exact Mass 664.027 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PIQUIJJCADCIDM-UHFFFAOYSA-L/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/PIQUIJJCADCIDM-UHFFFAOYSA-L/CHMO0000763
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-21
Related Molecule
  • copper;2-[2-[bis[2-[bis(dimethylamino)methylideneamino]ethyl]amino]ethyl]-1,1,3,3-tetramethylguanidine;dibromide
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169422766 pubchem
    The data in this table is sourced from UniChem at EBI.