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/C23H38N8.2BrH.Cu/c1-27(2)21-9-11-24-19(15-21)17-31(14-13-26-23(29(5)6)30(7)8)18-20-16-22(28(3)4)10-12-25-20;;;/h9-12,15-16H,13-14,17-18H2,1-8H3;2*1H;/q;;;+2/p-2
SMILES CN(c1ccnc(c1)CN(Cc1nccc(c1)N(C)C)CCN=C(N(C)C)N(C)C)C.[Cu+2].[Br-].[Br-]
InChI Key NWKNMQBGGXJLGW-UHFFFAOYSA-L
Molecular Formula C23H38Br2CuN8
Exact Mass 649.955 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NWKNMQBGGXJLGW-UHFFFAOYSA-L/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/NWKNMQBGGXJLGW-UHFFFAOYSA-L/CHMO0000763
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:59:21.504451
MetadataModified 2024-09-08T01:59:21.504456
MetadataPublished 2023-11-21
Field Value
Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables