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/C42H56N10.2C2H3N.2CHF3O3S.2Cu/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;2*1-2-3;2*2-1(3,4)8(5,6)7;;/h13-18,21-28,37-38H,19-20H2,1-12H3;2*1H3;2*(H,5,6,7);;/q;;;;;2*+1/p-2
SMILES FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccc(n1)CCc1cccc(n1)C(n1ccc(n1)C(C)(C)C)n1ccc(n1)C(C)(C)C)(C)C.CC#N.CC#N.[Cu+].[Cu+]
InChI Key HSMKDBCPZWEFBC-UHFFFAOYSA-L
Molecular Formula C48H62Cu2F6N12O6S2
Exact Mass 1208.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HSMKDBCPZWEFBC-UHFFFAOYSA-L/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/HSMKDBCPZWEFBC-UHFFFAOYSA-L/CHMO0000763
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:53:07.379043
MetadataModified 2024-09-08T00:53:07.379049
MetadataPublished 2023-04-13
Field Value
Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables