Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C33H29N/c1-22-18-23(2)29-21-31(27-6-4-3-5-7-27)33(34-32(29)19-22)30-20-26-13-12-24-8-10-25(11-9-24)14-16-28(30)17-15-26/h3-11,15,17-21H,12-14,16H2,1-2H3
SMILES	Cc1cc(C)c2c(c1)nc(c(c2)c1ccccc1)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	HCKHACPXJZQVRJ-UHFFFAOYSA-N
Exact Mass	439.590 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HCKHACPXJZQVRJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/HCKHACPXJZQVRJ-UHFFFAOYSA-N/CHMO0000593
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:48:07.935534
MetadataModified	2024-09-23T09:24:57.091515
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 : Feb07-2024 date : 20240207 starting time : 8.36 h instrument : Avance NEO label : KT-702 id : 294183 Solvent : chloroform-D1 (CDCl3)

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