Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C50H37BrN4/c1-49(2)37-13-5-9-17-43(37)54(44-18-10-6-14-38(44)49)31-22-24-33-35(28-31)36-29-32(23-25-34(36)48-47(33)52-41-26-21-30(51)27-42(41)53-48)55-45-19-11-7-15-39(45)50(3,4)40-16-8-12-20-46(40)55/h5-29H,1-4H3
SMILES	Brc1ccc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key	YAWJSPVIHVBBHI-UHFFFAOYSA-N
Molecular Formula	C50H37BrN4
Exact Mass	773.760 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/YAWJSPVIHVBBHI-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/YAWJSPVIHVBBHI-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jason Hofmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:44:14.610980
MetadataModified	2025-01-29T16:36:42.972000
MetadataPublished	2024-11-25
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 297.7 K PULPROG : zg30 number of scans : 16 scans title : Sep11-2024 date : 20240911 starting time : 11.22 h instrument : Avance NEO label : JSH-261 id : 323768 Solvent : chloroform-D1 (CDCl3)

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