Dataset

Fourier transform infrared spectroscopy (FTIR)

dataset for Fourier transform infrared spectroscopy (FTIR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)
SMILES NNC(=O)Cc1nnn[nH]1
InChI Key TWKUAKLZOIABHJ-UHFFFAOYSA-N
Molecular Formula C3H6N6O
Exact Mass 142.119 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TWKUAKLZOIABHJ-UHFFFAOYSA-N/CHMO0000636
License URL
Source https://www.chemotion-repository.net/inchikey/TWKUAKLZOIABHJ-UHFFFAOYSA-N/CHMO0000636
Version
Author Andreas Link
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:58:03.653511
MetadataModified 2024-09-08T00:58:03.653518
MetadataPublished 2023-05-16
Field Value
Measurement Technique Fourier transform infrared spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J2.529.631A Nikkaji
MCULE-5629806431 Mcule
CB02560957 ChemicalBook
223562 Brenda
ZINC000090613053 ZINC
CHEMBL3785434 ChEMBL
50158850 BindingDB
55281807 PubChem
32232510 eMolecules
The data in this table is sourced from UniChem at EBI.