Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H10N4/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-10H/b15-9+,16-10+
SMILES	n1ccc(cc1)/C=N/N=C/c1ccncc1
InChI Key	XLLIUDMGQNPRJS-KAVGSWPWSA-N
Molecular Formula	C12H10N4
Exact Mass	210.235 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XLLIUDMGQNPRJS-KAVGSWPWSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/XLLIUDMGQNPRJS-KAVGSWPWSA-N/IR
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:11:57.121781
MetadataModified	2024-09-07T15:15:10.670725
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
LIZCUS	CCDC
J119.421F	Nikkaji
CHEMBL3208921	ChEMBL
SCHEMBL2471334	SureChEMBL
9576147	PubChem
MCULE-3655417320	Mcule
ZINC000001693219	ZINC
CB5939260	ChemicalBook
The data in this table is sourced from UniChem at EBI.