Dataset

Nicotine[5]

This dataset contains NMR spectra obtained for the sample containing Nicotine

Chemical Information

molecular Image

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

Nicotine[5]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1310.d5751
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5751
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
50004108	bindingdb
The data in this table is sourced from UniChem at EBI.