Dataset

Strychnine[3]

This dataset contains NMR spectra obtained for the sample containing Strychnine

Chemical Information

molecular Image

InChI	InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
SMILES	O=C1C[C@H]2OCC=C3CN4CC[C@@]56C7=CC=CC=C7N1[C@@H]5[C@@H]2[C@@H]3C[C@@H]46
InChI Key	QMGVPVSNSZLJIA-FVWCLLPLSA-N
Molecular Formula	C21H22N2O2
Exact Mass	334.400 g/mol

Data and Resources

Strychnine[3]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1304.d5713
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5713
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
DB15954	drugbank
CHEBI:28973	chebi
SY9	rcsb_pdb
CHEMBL227934	chembl
14029424	surechembl
93798	surechembl
441071	pubchem
H9Y79VD43J	fdasrs
SY9	pdbe
PD014394	probes_and_drugs
ZZZUEE	CCDC
252948	brenda
DTXSID6023600	comptox
2484	drugcentral
50225707	bindingdb
The data in this table is sourced from UniChem at EBI.