Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C6H6N4/c7-5-1-3-6(4-2-5)9-10-8/h1-4H,7H2
SMILES	Nc1ccc(cc1)N=N#N
InChI Key	SSMVDPYHLFEAJE-UHFFFAOYSA-N
Molecular Formula	C6H6N4
Exact Mass	134.139 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Explore

  • More information
  • Go to resource

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SSMVDPYHLFEAJE-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/SSMVDPYHLFEAJE-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Katharina Peschko
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:00:06.831066
MetadataModified	2024-09-07T13:26:14.800803
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
16336803	PubChem: Thomson Pharma
SCHEMBL411432	SureChEMBL
14860-64-1	ACToR
ZINC000012956370	ZINC
DTXSID80164033	EPA CompTox Dashboard
J227.217B	Nikkaji
CHEMBL3236180	ChEMBL
84674	PubChem
The data in this table is sourced from UniChem at EBI.