Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KNVAGUSBHXRVHL-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/KNVAGUSBHXRVHL-UHFFFAOYSA-N/CHMO0000595
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-12-06 Start time : 08:32:58 UTC Creator : Sylvia Vanderheiden-Schroen Label : ComP-25507 ID : 356087 Solvent : CDCl3 Temperature : 297.998839385253 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

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