Dataset

elemental analysis (EA)

Chemical Info

InChI	InChI=1S/C14H15N5.3CO.BrH.Re/c1-2-3-6-11-10-19(18-17-11)14-9-15-12-7-4-5-8-13(12)16-14;3*1-2;;/h4-5,7-10H,2-3,6H2,1H3;;;;1H;/q;;;;;+1/p-1
SMILES	[O]#C[Re](C#[O])(C#[O])Br.CCCCc1nnn(c1)c1cnc2c(n1)cccc2
InChI Key	CCAUEKYEPREEHO-UHFFFAOYSA-M
Molecular Formula	C17H15BrN5O3Re
Exact Mass	603.444 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CCAUEKYEPREEHO-UHFFFAOYSA-M/CHMO0001075
License URL
Source	https://www.chemotion-repository.net/inchikey/CCAUEKYEPREEHO-UHFFFAOYSA-M/CHMO0001075
Version
Author	Olaf Fuhr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:52:11.129292
MetadataModified	2024-09-07T21:28:35.895949
MetadataPublished	2022-02-11

Field	Value
Measurement Technique	elemental analysis
Measurement Variables

Data-Source Molecule ID	Data-Source
162623362	PubChem
The data in this table is sourced from UniChem at EBI.