Dataset

Berberinchlorid[5]

This dataset contains NMR spectra obtained for the sample containing Berberinchlorid

Chemical Information

molecular Image

InChI	InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4,7-10H,5-6,11H2,1-2H3;1H/q+1;/p-1
SMILES	COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(C=C1CC3)OCO2.[Cl-]
InChI Key	VKJGBAJNNALVAV-UHFFFAOYSA-M

Data and Resources

Berberinchlorid[5]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p139.s1383.d6082
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6082
Version
Author
Maintainer
Language	english
MetadataPublished	2025-09-25T22:54:26.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm BBO BB-1H-D Z-GRD Z8248/080 Temperature : 298.6779 K magnetic field strength : 9.393510677635083 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : hsqcedetgp Spectral Width : [11.9745511706406, 180.120377905106] number of data points : [2048, 256] points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
CHEBI:31271	chebi
CHEMBL12089	chembl
153906	surechembl
29396036	surechembl
29749148	surechembl
12456	pubchem
6426334	pubchem
UOT4O1BYV8	fdasrs
PD001575	probes_and_drugs
23056	brenda
Molport-001-742-620	molport
The data in this table is sourced from UniChem at EBI.