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/C16H12N6/c17-15-16(19-13-9-5-4-8-12(13)18-15)22-10-14(20-21-22)11-6-2-1-3-7-11/h1-10H,(H2,17,18)
SMILES Nc1nc2ccccc2nc1n1nnc(c1)c1ccccc1
InChI Key XAKPOUMBAWIAJL-UHFFFAOYSA-N
Molecular Formula C16H12N6
Exact Mass 288.307 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XAKPOUMBAWIAJL-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XAKPOUMBAWIAJL-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:04:48.104777
MetadataModified 2024-09-07T21:45:01.246015
MetadataPublished 2022-02-11
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables