Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C39H36F2N4O/c1-3-4-5-6-7-10-23-46-39-36(44-34-11-8-9-12-35(34)45-39)22-21-33-26(2)42-37-24-31(27-13-17-29(40)18-14-27)32(25-38(37)43-33)28-15-19-30(41)20-16-28/h8-9,11-22,24-25H,3-7,10,23H2,1-2H3/b22-21+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccc(cc3)F)c(cc2nc1C)c1ccc(cc1)F
InChI Key	AGOIKVNHWRZZME-QURGRASLSA-N
Molecular Formula	C39H36F2N4O
Exact Mass	614.726 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AGOIKVNHWRZZME-QURGRASLSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/AGOIKVNHWRZZME-QURGRASLSA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:32:04.906634
MetadataModified	2024-09-07T22:08:40.339190
MetadataPublished	2022-04-17

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

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