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/C16H12N6O/c1-10(23)11-6-8-12(9-7-11)17-15-16-19-20-21-22(16)14-5-3-2-4-13(14)18-15/h2-9H,1H3,(H,17,18)
SMILES CC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1nnn2
InChI Key OIHNAVUWMWBKPA-UHFFFAOYSA-N
Molecular Formula C16H12N6O
Exact Mass 304.306 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OIHNAVUWMWBKPA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OIHNAVUWMWBKPA-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:06:48.560890
MetadataModified 2024-09-07T21:47:38.827917
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
24386451 eMolecules
20889086 PubChem
ZINC000006752087 ZINC
MCULE-8681523956 Mcule
SCHEMBL15626118 SureChEMBL
The data in this table is sourced from UniChem at EBI.