Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2
SMILES	c1ccc(nc1)c1cc2ccccc2nc1c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	CFDUZKRCBFSQAH-UHFFFAOYSA-N
Exact Mass	412.525 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CFDUZKRCBFSQAH-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/CFDUZKRCBFSQAH-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:35:45.259969
MetadataModified	2024-09-23T09:23:54.190463
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 : Jan30-2024 date : 20240131 starting time : 7.02 h instrument : Avance NEO label : KT-681 id : 292863 Solvent : chloroform-D1 (CDCl3)

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