Dataset

elemental analysis (EA)

Chemical Info

InChI	InChI=1S/C20H24N6.3CO.BrH.Re/c1-3-5-9-15-14-25(24-23-15)20-19-21-13-16(10-6-4-2)26(19)18-12-8-7-11-17(18)22-20;3*1-2;;/h7-8,11-14H,3-6,9-10H2,1-2H3;;;;1H;/q;;;;;+1/p-1
SMILES	CCCCc1nnn(c1)c1nc2ccccc2n2c1ncc2CCCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].Br[Re]
InChI Key	IYHBIYUJPQGBCO-UHFFFAOYSA-M
Molecular Formula	C23H24BrN6O3Re
Exact Mass	698.586 g/mol

Data and Resources

• elemental analysis (EA)HTML
  Explore

  • More information
  • Go to resource

• elemental-analysis

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IYHBIYUJPQGBCO-UHFFFAOYSA-M/CHMO0001075
License URL
Source	https://www.chemotion-repository.net/inchikey/IYHBIYUJPQGBCO-UHFFFAOYSA-M/CHMO0001075
Version
Author	Olaf Fuhr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:01:25.372488
MetadataModified	2024-09-07T21:40:37.814271
MetadataPublished	2022-02-11

Field	Value
Measurement Technique	elemental analysis
Measurement Variables

Data-Source Molecule ID	Data-Source
162623391	PubChem
The data in this table is sourced from UniChem at EBI.