Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C27H28N4O2/c1-2-3-4-5-6-11-18-33-27-25(29-22-14-9-10-15-23(22)31-27)17-16-24-26(19-32)30-21-13-8-7-12-20(21)28-24/h7-10,12-17,19H,2-6,11,18H2,1H3/b17-16+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C=O
InChI Key	UBLBPTIJQCWTLO-WUKNDPDISA-N
Molecular Formula	C27H28N4O2
Exact Mass	440.537 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UBLBPTIJQCWTLO-WUKNDPDISA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/UBLBPTIJQCWTLO-WUKNDPDISA-N/CHMO0000593
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:27:06.903200
MetadataModified	2024-09-07T22:04:33.354268
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.