Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C33H28FN/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	Fc1ccc(cc1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C
InChI Key	NDQHDQLFNYWSJT-UHFFFAOYSA-N
Exact Mass	457.581 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NDQHDQLFNYWSJT-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/NDQHDQLFNYWSJT-UHFFFAOYSA-N/CHMO0000599
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:36:35.822105
MetadataModified	2024-09-23T09:23:58.308713
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : cosygpppqf number of scans : 1 scans title : Feb12-2024 date : 20240212 starting time : 12.07 h instrument : Avance NEO label : KT-712 id : 294921 Solvent : chloroform-D1 (CDCl3)

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