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/C47H40N4/c1-47(2,3)38-26-29-41-40(30-38)42-33-20-18-31-14-16-32(17-15-31)19-21-34(23-22-33)43(42)51(41)39-27-24-37(25-28-39)46-49-44(35-10-6-4-7-11-35)48-45(50-46)36-12-8-5-9-13-36/h4-17,22-30H,18-21H2,1-3H3
SMILES CC(c1ccc2c(c1)c1c3ccc(c1n2c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1)CCc1ccc(CC3)cc1)(C)C
InChI Key IAJDAFNJLOFUQE-UHFFFAOYSA-N
Molecular Formula C47H40N4
Exact Mass 660.847 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IAJDAFNJLOFUQE-UHFFFAOYSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/IAJDAFNJLOFUQE-UHFFFAOYSA-N/CHMO0000763
Version
Author Jasmin Seibert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:17:31.571577
MetadataModified 2024-09-08T04:17:31.571581
MetadataPublished 2024-07-26
Related Molecule
  • 5-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-azapentacyclo[9.8.2.214,17.02,10.03,8]tricosa-1,3(8),4,6,10,14,16,20,22-nonaene
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.