Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C24H20N6O4/c1-33-23(31)17-7-9-21(19(11-17)13-27-29-25)15-3-5-16(6-4-15)22-10-8-18(24(32)34-2)12-20(22)14-28-30-26/h3-12H,13-14H2,1-2H3
SMILES	[N-]=[N+]=NCc1cc(ccc1c1ccc(cc1)c1ccc(cc1CN=[N+]=[N-])C(=O)OC)C(=O)OC
InChI Key	WIKMLBBPTJCTJL-UHFFFAOYSA-N
Molecular Formula	C24H20N6O4
Exact Mass	456.453 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WIKMLBBPTJCTJL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WIKMLBBPTJCTJL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:34:11.648981
MetadataModified	2024-09-07T18:31:01.615331
MetadataPublished	2020-08-08

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146681774	PubChem
The data in this table is sourced from UniChem at EBI.