Dataset

(-)-Carvone[3]

This dataset contains NMR spectra obtained for the sample containing (-)-Carvone

Chemical Information

molecular Image
InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
SMILES C=C(C)[C@H]1CC=C(C)C(=O)C1
InChI Key ULDHMXUKGWMISQ-SECBINFHSA-N
Molecular Formula C10H14O
Exact Mass 150.220 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p126.s1329.d5866
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5866
Version
Author
Maintainer
Language english
MetadataPublished 2025-08-31T18:59:53.000000Z
Related Molecule
  • (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
    • 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
    J15.688D Nikkaji
    92864 Brenda
    CARVONE, (-)- rxnorm
    RERXIV CCDC
    LMPR0102090007 LipidMaps
    60000005 NMRShiftDB
    DTXSID7041413 EPA CompTox Dashboard
    CHEMBL2229268 ChEMBL
    439570 PubChem
    15400 ChEBI
    C01767 KEGG Ligand
    MCULE-7861636306 Mcule
    MCULE-7452592467 Mcule
    HMDB0035089 Human Metabolome Database
    15400 Rhea
    CB1733358 ChemicalBook
    218054 Brenda
    MTBLC15400 Metabolights
    21416 Brenda
    6400 Brenda
    18736 Brenda
    174965 Brenda
    ZINC000014588455 ZINC
    479791 eMolecules
    15315435 PubChem: Thomson Pharma
    16129891 PubChem: Thomson Pharma
    07V PDBe
    5TO7X34D3D FDA SRS
    SCHEMBL230994 SureChEMBL
    260113 Brenda
    The data in this table is sourced from UniChem at EBI.