Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C68H55N7O/c1-2-3-4-5-6-7-8-9-10-43-62-70-71-68(76-62)63-64(72-54-35-19-11-27-45(54)46-28-12-20-36-55(46)72)53(44-69)65(73-56-37-21-13-29-47(56)48-30-14-22-38-57(48)73)67(75-60-41-25-17-33-51(60)52-34-18-26-42-61(52)75)66(63)74-58-39-23-15-31-49(58)50-32-16-24-40-59(50)74/h11-42H,2-10,43H2,1H3
SMILES	CCCCCCCCCCCc1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(C#N)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	CIOTUFXZDSKBMW-UHFFFAOYSA-N
Molecular Formula	C68H55N7O
Exact Mass	986.211 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/CIOTUFXZDSKBMW-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CIOTUFXZDSKBMW-UHFFFAOYSA-N/CHMO0000593
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:00:04.308107
MetadataModified	2024-09-07T16:24:57.041519
MetadataPublished	2020-02-01
Related Molecule

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

Data-Source Molecule ID	Data-Source
138453805	PubChem
The data in this table is sourced from UniChem at EBI.