Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H12N2O8/c1-25-15(19)9-3-5-11(13(7-9)17(21)22)12-6-4-10(16(20)26-2)8-14(12)18(23)24/h3-8H,1-2H3
SMILES	COC(=O)c1ccc(c(c1)N(=O)=O)c1ccc(cc1N(=O)=O)C(=O)OC
InChI Key	MVYBOCLZWGBZBT-UHFFFAOYSA-N
Molecular Formula	C16H12N2O8
Exact Mass	360.275 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/MVYBOCLZWGBZBT-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/MVYBOCLZWGBZBT-UHFFFAOYSA-N/Mass
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:00:35.573745
MetadataModified	2024-09-07T14:58:25.274617
MetadataPublished	2019-04-09

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
2793753	PubChem
VOBBEV	CCDC
The data in this table is sourced from UniChem at EBI.