Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C35H32N2O2/c1-2-3-4-26-13-20-34-30(21-26)23-33(29-16-18-31(19-17-29)37(38)39)35(36-34)32-22-27-10-9-24-5-7-25(8-6-24)11-14-28(32)15-12-27/h5-8,12-13,15-23H,2-4,9-11,14H2,1H3
SMILES	CCCCc1ccc2c(c1)cc(c(n2)c1cc2CCc3ccc(CCc1cc2)cc3)c1ccc(cc1)[N+](=O)[O-]
InChI Key	BPUIYRKZJGNMFY-UHFFFAOYSA-N
Exact Mass	512.641 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BPUIYRKZJGNMFY-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/BPUIYRKZJGNMFY-UHFFFAOYSA-N/CHMO0000599
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:30:21.479703
MetadataModified	2024-09-23T09:23:28.367691
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : cosygpppqf number of scans : 1 scans title : Mar28-2024 date : 20240328 starting time : 9.57 h instrument : Avance NEO label : KT-829 id : 300988 Solvent : CD2Cl2

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