Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C31H24ClN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2
SMILES	Clc1cccc(c1)c1cc2ccccc2nc1c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	ZMNGZXQVAJHOGB-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/ZMNGZXQVAJHOGB-UHFFFAOYSA-N/CHMO0000604.1
License URL
Source	https://www.chemotion-repository.net/inchikey/ZMNGZXQVAJHOGB-UHFFFAOYSA-N/CHMO0000604.1
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:28:09.090592
MetadataModified	2024-09-23T09:23:19.361831
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 : Mar14-2024 date : 20240315 starting time : 4.42 h instrument : Avance NEO label : TIK-569 id : 116338 Solvent : CD2Cl2

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