Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C36H28N4/c1-2-30-22-36(28-11-19-40-20-12-28)32(24-35(30)27-9-17-39-18-10-27)4-3-31-23-33(25-5-13-37-14-6-25)29(1)21-34(31)26-7-15-38-16-8-26/h5-24H,1-4H2
SMILES	n1ccc(cc1)c1cc2CCc3cc(c(CCc1cc2c1ccncc1)cc3c1ccncc1)c1ccncc1
InChI Key	MRFMWLNWLYEWRZ-UHFFFAOYSA-N
Molecular Formula	C36H28N4
Exact Mass	516.634 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MRFMWLNWLYEWRZ-UHFFFAOYSA-N/CHMO0000630.1
License URL
Source	https://www.chemotion-repository.net/inchikey/MRFMWLNWLYEWRZ-UHFFFAOYSA-N/CHMO0000630.1
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:06:00.536812
MetadataModified	2024-09-08T04:06:00.536818
MetadataPublished	2024-07-10

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
20767385	PubChem
The data in this table is sourced from UniChem at EBI.