Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C50H38N4/c1-49(2)37-15-5-11-21-43(37)53(44-22-12-6-16-38(44)49)31-25-27-33-35(29-31)36-30-32(26-28-34(36)48-47(33)51-41-19-9-10-20-42(41)52-48)54-45-23-13-7-17-39(45)50(3,4)40-18-8-14-24-46(40)54/h5-30H,1-4H3
SMILES	CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(c1)c1cc(ccc1c1c2nc2ccccc2n1)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key	ZVXTYYGDOWPJNX-UHFFFAOYSA-N
Molecular Formula	C50H38N4
Exact Mass	694.864 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZVXTYYGDOWPJNX-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ZVXTYYGDOWPJNX-UHFFFAOYSA-N/CHMO0000593
Version
Author	Jason Hofmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:42:15.254667
MetadataModified	2025-01-29T16:34:41.488407
MetadataPublished	2024-11-25

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 : 12.29 h instrument : Avance NEO label : JSH-228 id : 321918 Solvent : chloroform-D1 (CDCl3)

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