Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C39H38N4O/c1-3-4-5-6-7-16-25-44-39-36(42-34-21-14-15-22-35(34)43-39)24-23-33-28(2)40-37-26-31(29-17-10-8-11-18-29)32(27-38(37)41-33)30-19-12-9-13-20-30/h8-15,17-24,26-27H,3-7,16,25H2,1-2H3/b24-23+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1C)c1ccccc1
InChI Key	KYBSMJXYYGCINL-WCWDXBQESA-N
Molecular Formula	C39H38N4O
Exact Mass	578.745 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KYBSMJXYYGCINL-WCWDXBQESA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/KYBSMJXYYGCINL-WCWDXBQESA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:32:19.015329
MetadataModified	2024-09-07T22:08:51.079075
MetadataPublished	2022-04-17
Related Molecule

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

Data-Source Molecule ID	Data-Source
163197200	PubChem
The data in this table is sourced from UniChem at EBI.