Dataset

l-Linalool[4]

This dataset contains NMR spectra obtained for the sample containing l-Linalool

Chemical Information

molecular Image

InChI	InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1
SMILES	C=C[C@](C)(O)CCC=C(C)C
InChI Key	CDOSHBSSFJOMGT-JTQLQIEISA-N
Molecular Formula	C10H18O
Exact Mass	154.250 g/mol

Data and Resources

l-Linalool[4]HTML

Go to source

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p23.s1343.d5934
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5934
Version
Author	Agneta Prasse, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Stefan Berger, Prof. Dr. Dieter Sicker
Maintainer
Language	english
MetadataPublished	2025-09-13T19:25:03.000000Z
Related Molecule

Field	Value
Measurement Technique	noesy
Measurement Variables	NMR solvent : D2O acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H-BB-D Z-GRD Z5627/001 Temperature : 571.16 K magnetic field strength : 9.393510677635083 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : noesygpph Spectral Width : [8.98092415503016, 9.00032139942547] number of data points : [2048, 256] points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
CHEBI:28	chebi
LMPR0102010013	lipidmaps
A1EBL	rcsb_pdb
CHEMBL235672	chembl
891312	surechembl
443158	pubchem
3U21E3V8I2	fdasrs
PD001445	probes_and_drugs
ZURSUD	CCDC
190286	brenda
221386	brenda
57985	brenda
Molport-003-666-060	molport
The data in this table is sourced from UniChem at EBI.