Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H8N2O4/c17-13(18)7-1-3-9-10-4-2-8(14(19)20)6-12(10)16-15-11(9)5-7/h1-6H,(H,17,18)(H,19,20)
SMILES	OC(=O)c1ccc2c(c1)nnc1c2ccc(c1)C(=O)O
InChI Key	BOVRXMAPNVLKEZ-UHFFFAOYSA-N
Molecular Formula	C14H8N2O4
Exact Mass	268.224 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/BOVRXMAPNVLKEZ-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/BOVRXMAPNVLKEZ-UHFFFAOYSA-N/Mass
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:01:53.830220
MetadataModified	2024-09-07T15:00:21.684100
MetadataPublished	2019-04-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.021.287H	Nikkaji
20512361	PubChem
SCHEMBL11192391	SureChEMBL
The data in this table is sourced from UniChem at EBI.