Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C22H18N8/c1-13-6-3-10-17(23-13)21-19(25-29-27-21)15-8-5-9-16(12-15)20-22(28-30-26-20)18-11-4-7-14(2)24-18/h3-12H,1-2H3,(H,25,27,29)(H,26,28,30)
SMILES	Cc1cccc(n1)c1[nH]nnc1c1cccc(c1)c1[nH]nnc1c1cccc(n1)C
InChI Key	ACHZCNIGXYPPSW-UHFFFAOYSA-N
Molecular Formula	C22H18N8
Exact Mass	394.432 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ACHZCNIGXYPPSW-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/ACHZCNIGXYPPSW-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:13:22.797358
MetadataModified	2024-09-07T15:17:18.687116
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453473	PubChem
The data in this table is sourced from UniChem at EBI.