Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H12N2O4.BrH/c20-16(21)12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(4-8-15)17(22)23;/h1-11H,(H-,20,21,22,23);1H
SMILES	OC(=O)c1ccc(cc1)n1cc[n+](c1)c1ccc(cc1)C(=O)O.[Br-]
InChI Key	IDCIXAUEMSQINH-UHFFFAOYSA-N
Molecular Formula	C17H13BrN2O4
Exact Mass	389.200 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/IDCIXAUEMSQINH-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/IDCIXAUEMSQINH-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simon Oßwald
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:49:20.624943
MetadataModified	2024-09-07T17:29:48.935621
MetadataPublished	2020-04-08

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146019156	PubChem
The data in this table is sourced from UniChem at EBI.