Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

InChI	InChI=1S/C16H36N.C10H9BClS/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;12-9-5-2-1-4-8(9)11-10-6-3-7-13-10/h5-16H2,1-4H3;1-7H,11H2/q+1;-1
SMILES	Clc1ccccc1[BH2-]c1cccs1.CCCC[N+](CCCC)(CCCC)CCCC
InChI Key	KNVAGUSBHXRVHL-UHFFFAOYSA-N
Exact Mass	449.971 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KNVAGUSBHXRVHL-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/KNVAGUSBHXRVHL-UHFFFAOYSA-N/CHMO0001150
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables	date : 2025-12-06 starting time : 09:11:03 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25507 id : 356087 Solvent : CDCl3 temperature : 297.98314957556 K PULPROG : cosygpppqf number of scans : 1 scans instrument : Avance NEO 400 Name : TopSpin

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