Dataset

Sorbic acid[1]

This dataset contains NMR spectra obtained for the sample containing Sorbic acid

Chemical Information

molecular Image

InChI	InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+
SMILES	C/C=C/C=C/C(=O)O
InChI Key	WSWCOQWTEOXDQX-MQQKCMAXSA-N
Molecular Formula	C6H8O2
Exact Mass	112.130 g/mol

Data and Resources

Sorbic acid[1]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p43.s1296.d5648
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5648
Version
Author	Christoph Selg, David Geißler, Prof. Dr. Dieter Sicker, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Stefan Berger
Maintainer
Language	english
MetadataPublished	2025-08-31T13:58:17.000000Z
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
CHEBI:38358	chebi
LMFA01030100	lipidmaps
CHEMBL250212	chembl
1647	surechembl
643460	pubchem
X045WJ989B	fdasrs
PD014431	probes_and_drugs
ZZZNWQ	CCDC
107760	brenda
109028	brenda
163867	brenda
254082	brenda
28087	brenda
32413	brenda
65921	brenda
HMDB0029581	hmdb
Molport-001-780-268	molport
The data in this table is sourced from UniChem at EBI.