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/C9H9N5/c1-13-6-9-10-11-12-14(9)8-5-3-2-4-7(8)13/h2-5H,6H2,1H3
SMILES CN1Cc2nnnn2-c2c1cccc2
InChI Key VJXDMNNLLZYTRN-UHFFFAOYSA-N
Molecular Formula C9H9N5
Exact Mass 187.201 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VJXDMNNLLZYTRN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VJXDMNNLLZYTRN-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:07:20.999434
MetadataModified 2024-09-07T21:48:20.965567
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID80615398 EPA CompTox Dashboard
21514050 PubChem
SCHEMBL11842040 SureChEMBL
The data in this table is sourced from UniChem at EBI.