Dataset

Compound_8[Compound_8_13c.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_13c.jdx]HTML
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• distortionless-enha...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p154.s1541.d6795
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6795
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	distortionless enhancement with polarization transfer
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : deptqgpsp Spectral Width : number of data points : 32768 points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
2595109	surechembl
15558854	pubchem
The data in this table is sourced from UniChem at EBI.