Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H12N2O4/c1-21-15(19)9-3-5-11-12-6-4-10(16(20)22-2)8-14(12)18-17-13(11)7-9/h3-8H,1-2H3
SMILES	COC(=O)c1ccc2c(c1)nnc1c2ccc(c1)C(=O)OC
InChI Key	IOZPTCKUVQQSAI-UHFFFAOYSA-N
Molecular Formula	C16H12N2O4
Exact Mass	296.277 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IOZPTCKUVQQSAI-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/IOZPTCKUVQQSAI-UHFFFAOYSA-N/Mass
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:00:07.440308
MetadataModified	2024-09-07T14:57:51.345996
MetadataPublished	2019-04-09

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
21818593	PubChem
SCHEMBL11195889	SureChEMBL
The data in this table is sourced from UniChem at EBI.