Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C49H42N6O2/c1-2-3-4-5-6-17-30-57-49-45(51-40-24-15-16-25-41(40)55-49)29-28-43-42(26-27-44-48(33-56)54-39-23-14-13-22-38(39)50-44)52-46-31-36(34-18-9-7-10-19-34)37(32-47(46)53-43)35-20-11-8-12-21-35/h7-16,18-29,31-33H,2-6,17,30H2,1H3/b27-26+,29-28+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2ccccc2nc1C=O)c1ccccc1
InChI Key	DQZGBDJEKINDHT-ZDXBJJIESA-N
Molecular Formula	C49H42N6O2
Exact Mass	746.897 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/DQZGBDJEKINDHT-ZDXBJJIESA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/DQZGBDJEKINDHT-ZDXBJJIESA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:30:30.960249
MetadataModified	2024-09-07T22:07:20.163327
MetadataPublished	2022-04-17
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
163197195	PubChem
The data in this table is sourced from UniChem at EBI.