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/C12H9N3S/c1-2-6-11-10(5-1)15-12(16-11)14-8-9-4-3-7-13-9/h1-8,13H/b14-8+
SMILES c1ccc([nH]1)/C=N/c1nc2c(s1)cccc2
InChI Key MHSZCQKGNCQJGP-RIYZIHGNSA-N
Molecular Formula C12H9N3S
Exact Mass 227.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MHSZCQKGNCQJGP-RIYZIHGNSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/MHSZCQKGNCQJGP-RIYZIHGNSA-N/CHMO0000763
Version
Author Valentina Ferraro
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:19:13.360562
MetadataModified 2024-09-08T03:19:13.360569
MetadataPublished 2024-04-17
Field Value
Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
135607246 PubChem
CHEMBL4103506 ChEMBL
The data in this table is sourced from UniChem at EBI.