Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C3H3N5/c4-8-7-3-1-2-5-6-3/h1-2H,(H,5,6)
SMILES [N-]=[N+]=Nc1cc[nH]n1
InChI Key KKKGXLQRKPKJON-UHFFFAOYSA-N
Molecular Formula C3H3N5
Exact Mass 109.089 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KKKGXLQRKPKJON-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KKKGXLQRKPKJON-UHFFFAOYSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:43:08.483338
MetadataModified 2024-09-07T22:17:32.258552
MetadataPublished 2022-04-20
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
15323000 PubChem
J2.855.365J Nikkaji
SCHEMBL17372803 SureChEMBL
J862.925K Nikkaji
SCHEMBL9276678 SureChEMBL
The data in this table is sourced from UniChem at EBI.