Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C34H31N/c1-22-4-14-28(15-5-22)32-21-30-24(3)18-23(2)19-33(30)35-34(32)31-20-27-11-10-25-6-8-26(9-7-25)12-16-29(31)17-13-27/h4-9,13-15,17-21H,10-12,16H2,1-3H3
SMILES	Cc1ccc(cc1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C
InChI Key	WAFFUKHSOQTNTI-UHFFFAOYSA-N
Exact Mass	453.617 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WAFFUKHSOQTNTI-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/WAFFUKHSOQTNTI-UHFFFAOYSA-N/CHMO0000593
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:33:25.693463
MetadataModified	2024-09-23T09:23:43.176527
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 : Feb21-2024 date : 20240221 starting time : 8.14 h instrument : Avance NEO label : KT-739 id : 296159 Solvent : chloroform-D1 (CDCl3)

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