Dataset

Shikimic acid[1]

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

Chemical Information

molecular Image

InChI	InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5+,6+/m0/s1
SMILES	O=C(O)C1=C[C@H](O)[C@@H](O)[C@H](O)C1
InChI Key	JXOHGGNKMLTUBP-KVQBGUIXSA-N
Molecular Formula	C7H10O5
Exact Mass	174.150 g/mol

Data and Resources

Shikimic acid[1]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1327.d5853
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5853
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
16902449	PubChem: Thomson Pharma
11789701	PubChem
J691.062I	Nikkaji
251635	Brenda
ZINC000008681449	ZINC
MCULE-9741453604	Mcule
70084700	NMRShiftDB
The data in this table is sourced from UniChem at EBI.