Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C31H24ClN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(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	Clc1ccc(cc1)c1cc2ccccc2nc1c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	FWMWDRVOEOASPW-UHFFFAOYSA-N
Exact Mass	445.982 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FWMWDRVOEOASPW-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/FWMWDRVOEOASPW-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:30:00.679605
MetadataModified	2024-09-23T09:23:27.815044
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 : Mar18-2024 date : 20240319 starting time : 1.34 h instrument : Avance NEO label : KT-799 id : 298799 Solvent : CD2Cl2

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