Dataset

Limonene[2]

This dataset contains NMR spectra obtained for the sample containing Limonene

InChI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1
SMILES	C=C(C)[C@H]1CC=C(C)CC1
InChI Key	XMGQYMWWDOXHJM-SNVBAGLBSA-N
Exact Mass	136.230 g/mol

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p42.s1307.d5730
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5730
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
15970693	PubChem: Thomson Pharma
7705-14-8	ACToR
47MAJ1Y2NE	FDA SRS
limnen	Recon
9IU	PDBe
PD124087	ProbesDrugs
489115	eMolecules
HMDB0004321	Human Metabolome Database
204026	Brenda
CB5178359	ChemicalBook
37375	Brenda
7951	Brenda
10170	Brenda
41963	Brenda
23384	Brenda
MTBLC15383	Metabolights
SCHEMBL233098	SureChEMBL
CHEMBL236688	ChEMBL
439250	PubChem
15383	ChEBI
C00521	KEGG Ligand
PIWHAI	CCDC
J85.992C	Nikkaji
19814	Brenda
HY-Z0478	MedChemExpress
LIMONENE, (-)-	rxnorm
60006047	NMRShiftDB
ZINC000000968226	ZINC
LMPR0102090002	LipidMaps
DTXSID6047078	EPA CompTox Dashboard
15383	Rhea
The data in this table is sourced from UniChem at EBI.