Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C33H28ClN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3
SMILES	Clc1ccc(cc1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C
InChI Key	PJHRZWMFLOBJCN-UHFFFAOYSA-N
Exact Mass	474.035 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PJHRZWMFLOBJCN-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/PJHRZWMFLOBJCN-UHFFFAOYSA-N/CHMO0000593
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:31:15.181604
MetadataModified	2024-09-23T09:23:31.467252
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans title : Mar12-2024 date : 20240312 starting time : 8.52 h instrument : Avance NEO label : KT-800 id : 298804 Solvent : CD2Cl2

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