Dataset

elemental analysis (EA)

Chemical Info

InChI	InChI=1S/C16H11N5.3CO.BrH.Re/c1-2-6-12(7-3-1)15-11-21(20-19-15)16-10-17-13-8-4-5-9-14(13)18-16;3*1-2;;/h1-11H;;;;1H;/q;;;;;+1/p-1
SMILES	c1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cccc2.[C-]#[O+].[C-]#[O+].[C-]#[O+].Br[Re]
InChI Key	JFQQXHCZLVWKOL-UHFFFAOYSA-M
Molecular Formula	C19H11BrN5O3Re
Exact Mass	623.433 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JFQQXHCZLVWKOL-UHFFFAOYSA-M/CHMO0001075
License URL
Source	https://www.chemotion-repository.net/inchikey/JFQQXHCZLVWKOL-UHFFFAOYSA-M/CHMO0001075
Version
Author	Chloé Liagre
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:57:31.885828
MetadataModified	2024-09-07T21:35:38.463731
MetadataPublished	2022-02-11

Field	Value
Measurement Technique	elemental analysis
Measurement Variables

Data-Source Molecule ID	Data-Source
162623383	PubChem
The data in this table is sourced from UniChem at EBI.