Dataset

Brazilein[3]

This dataset contains NMR spectra obtained for the sample containing Brazilein

Chemical Information

molecular Image

InChI	InChI=1S/C16H12O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,17,19-20H,6-7H2
SMILES	O=C1C=C2CC3(O)COC4=C(C=CC(O)=C4)C3=C2C=C1O
InChI Key	MLWIYODOURBGPI-UHFFFAOYSA-N
Molecular Formula	C16H12O5
Exact Mass	284.260 g/mol

Data and Resources

Brazilein[3]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1313.d5769
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5769
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
CHEMBL598750	chembl
12162549	surechembl
PD030127	probes_and_drugs
Molport-051-551-598	molport
The data in this table is sourced from UniChem at EBI.