Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
SMILES	CCCC[N+](CCCC)(CCCC)CCCC.[I-]
InChI Key	DPKBAXPHAYBPRL-UHFFFAOYSA-M
Exact Mass	369.368 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DPKBAXPHAYBPRL-UHFFFAOYSA-M/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/DPKBAXPHAYBPRL-UHFFFAOYSA-M/CHMO0000595
Version
Author	Alex Johnson
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:14:33.979127
MetadataModified	2024-09-23T09:25:31.865810
MetadataPublished	2024-07-17

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg60_ncl Number of scans : 128 Title : AJ_311-28-4_CDCl3_Full Date : 20240619 Start time : 11.01 h Instrument : AVIII300 Label : ACJ-21 ID : 117867 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
CHEMBL1079248	ChEMBL
SCHEMBL24883	SureChEMBL
14877303	PubChem: Thomson Pharma
311-28-4	ACToR
MCULE-5045350443	Mcule
22005936	PubChem
DTXSID30878092	EPA CompTox Dashboard
67553	PubChem
95141	Brenda
CB0187592	ChemicalBook
481570	eMolecules
The data in this table is sourced from UniChem at EBI.