Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3
SMILES	Brc1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key	BVKRGULQAWQNAW-UHFFFAOYSA-N
Molecular Formula	C49H36BrN5
Exact Mass	774.748 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/BVKRGULQAWQNAW-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/BVKRGULQAWQNAW-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jason Hofmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:42:36.646893
MetadataModified	2025-01-29T16:35:03.566019
MetadataPublished	2024-11-25
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : Sep05-2024 date : 20240905 starting time : 12.19 h instrument : Avance NEO label : JSH-188 id : 318705 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.