Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2
SMILES	[O-][N+](=O)c1ccc(cc1)c1cc2ccccc2nc1c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	PYFNPGHXHOMXKK-UHFFFAOYSA-N
Exact Mass	456.534 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PYFNPGHXHOMXKK-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/PYFNPGHXHOMXKK-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:34:42.142545
MetadataModified	2024-09-23T09:23:49.559667
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : Feb26-2024 date : 20240227 starting time : 4.47 h instrument : Avance NEO label : KT-760 id : 296814 Solvent : CD2Cl2

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