Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H8N2.3CO.ClH.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;;/h1-8H;;;;1H;/q;;;;;+1/p-1
SMILES	c1ccc(nc1)c1ccccn1.[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Re]
InChI Key	JBWAZOJPJGMZEF-UHFFFAOYSA-M
Molecular Formula	C13H8ClN2O3Re
Exact Mass	461.874 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/JBWAZOJPJGMZEF-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JBWAZOJPJGMZEF-UHFFFAOYSA-M/CHMO0000470
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:01:09.997333
MetadataModified	2024-09-08T04:01:09.997339
MetadataPublished	2024-07-05

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
11294165	PubChem
155885097	PubChem
16381831	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.