Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C24H20N6O4/c1-33-23(31)17-7-3-15(4-8-17)21-11-20(14-28-30-26)22(12-19(21)13-27-29-25)16-5-9-18(10-6-16)24(32)34-2/h3-12H,13-14H2,1-2H3
SMILES	COC(=O)c1ccc(cc1)c1cc(CN=[N+]=[N-])c(cc1CN=[N+]=[N-])c1ccc(cc1)C(=O)OC
InChI Key	HHUCQMBKBNWOLY-UHFFFAOYSA-N
Molecular Formula	C24H20N6O4
Exact Mass	456.453 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HHUCQMBKBNWOLY-UHFFFAOYSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/HHUCQMBKBNWOLY-UHFFFAOYSA-N/Mass/EI
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:41:19.001078
MetadataModified	2024-09-07T12:04:11.171826
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
73427283	PubChem
The data in this table is sourced from UniChem at EBI.