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/C8H7N5/c1-2-4-7-6(3-1)9-5-8-10-11-12-13(7)8/h1-4,9H,5H2
SMILES c1ccc2c(-n3nnnc3CN2)c1
InChI Key JJCQHCJBVSOFTM-UHFFFAOYSA-N
Molecular Formula C8H7N5
Exact Mass 173.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JJCQHCJBVSOFTM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JJCQHCJBVSOFTM-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:05:33.419247
MetadataModified 2024-09-07T21:46:02.400079
MetadataPublished 2022-02-11
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL9986581 SureChEMBL
21514049 PubChem
DTXSID20615397 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.