Dataset

Nicotine[3]

This dataset contains NMR spectra obtained for the sample containing Nicotine

InChI	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
SMILES	CN1CCCC1C1=CN=CC=C1
InChI Key	SNICXCGAKADSCV-UHFFFAOYSA-N
Molecular Formula	C10H14N2
Exact Mass	162.230 g/mol

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p42.s1310.d5749
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5749
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataPublished	2025-08-31T17:42:30.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
CHEBI:138000	chebi
CHEMBL440464	chembl
11976729	surechembl
20193	surechembl
942	pubchem
2585	gtopdb
3978	gtopdb
PD010183	probes_and_drugs
174991	brenda
HMDB0243542	hmdb
1282820	bindingdb
1282821	bindingdb
386791	bindingdb
50313526	bindingdb
50313542	bindingdb
50997512	bindingdb
51016810	bindingdb
51020385	bindingdb
51159357	bindingdb
51159371	bindingdb
51356867	bindingdb
51356869	bindingdb
51356976	bindingdb
794478	bindingdb
794479	bindingdb
794480	bindingdb
794481	bindingdb
794482	bindingdb
The data in this table is sourced from UniChem at EBI.