Dataset

Compound_8[Compound_8_cosy.jdx]

Chemical Information

InChI	InChI=1S/C15H14O6/c16-8-5-10(17)9-1-2-13(21-14(9)6-8)7-3-11(18)15(20)12(19)4-7/h3-6,13,16-20H,1-2H2
SMILES	OC1=CC(O)=C2CCC(C3=CC(O)=C(O)C(O)=C3)OC2=C1
InChI Key	VBMMNHVFWRTWNL-UHFFFAOYSA-N

Data and Resources

• Compound_8[Compound_8_cosy.jdx]HTML
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• correlation-spectro...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p154.s1541.d6797
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6797
Version
Author	Lisa Vuadens, Robin Huber, Laurence Marcourt, Luis-Manuel Quiros-Guerrero, Olivier Auguste Kirchhoffer, Arnaud Gaudry, Renata Campos Nogueira, Elhadji Assane Diop, Sidi Mohamed Seck, Jean-Luc Wolfender and Emerson Ferreira Queiroz
Maintainer
Language	english
MetadataPublished	2025-10-14T16:12:30.000000Z
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : cosygpppqf Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
SCHEMBL2595109	SureChEMBL
15558854	PubChem
The data in this table is sourced from UniChem at EBI.