Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C65H54N6O6/c1-4-5-6-7-8-17-36-77-63-57(66-52-22-15-16-23-53(52)71-63)35-34-55-54(67-58-37-48(42-18-11-9-12-19-42)49(38-59(58)68-55)43-20-13-10-14-21-43)32-33-56-62(41-72)70-61-40-51(45-26-30-47(31-27-45)65(74)76-3)50(39-60(61)69-56)44-24-28-46(29-25-44)64(73)75-2/h9-16,18-35,37-41H,4-8,17,36H2,1-3H3/b33-32+,35-34+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2cc(c3ccc(cc3)C(=O)OC)c(cc2nc1C=O)c1ccc(cc1)C(=O)OC)c1ccccc1
InChI Key	LCHRVGBGMUEFLV-VPHDGDOJSA-N
Molecular Formula	C65H54N6O6
Exact Mass	1015.161 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/LCHRVGBGMUEFLV-VPHDGDOJSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/LCHRVGBGMUEFLV-VPHDGDOJSA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:32:51.088106
MetadataModified	2024-09-07T22:09:19.323717
MetadataPublished	2022-04-17
Related Molecule

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

Data-Source Molecule ID	Data-Source
163197201	PubChem
The data in this table is sourced from UniChem at EBI.