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/C21H23N5O2/c1-27-16-10-14-15(11-17(16)28-2)20(23-13-6-4-3-5-7-13)25-21-19(14)24-18-12-22-8-9-26(18)21/h8-13H,3-7H2,1-2H3,(H,23,25)
SMILES COc1cc2c(NC3CCCCC3)nc3c(c2cc1OC)nc1n3ccnc1
InChI Key OQALJCKHBAHWFS-UHFFFAOYSA-N
Molecular Formula C21H23N5O2
Exact Mass 377.440 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OQALJCKHBAHWFS-UHFFFAOYSA-N/CHMO0000763.1
License URL
Source https://www.chemotion-repository.net/inchikey/OQALJCKHBAHWFS-UHFFFAOYSA-N/CHMO0000763.1
Version
Author Mareen Stahlberger
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:17:25.646255
MetadataModified 2024-09-08T00:15:01.604532
MetadataPublished 2023-01-23
Field Value
Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables