Dataset

(-)-Menthol.hmbc

Chemical Information

molecular Image
InChI InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
SMILES CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O
InChI Key NOOLISFMXDJSKH-GUBZILKMSA-N
Molecular Formula C10H20O
Exact Mass 156.260 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s243.d1402
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1402
Version
Author Peter Spiteller
Maintainer
Language english
MetadataPublished 2023-12-24 21:57:47
Related Molecule
  • (1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H', '13C']

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001

    Temperature : 300 K

    magnetic field strength : 14.095010340939984 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : hmbcetgpl2nd

    Spectral Width : [4.00553478002516, 80.0295960789422]

    number of data points : 4 points

    relaxation time measurement : 3 seconds

    Data-Source Molecule ID Data-Source
    ZINC000002038603 ZINC
    1SNM7D2SFV FDA SRS
    1JE64OEH7Y FDA SRS
    J238.500G Nikkaji
    DTXSID20364934 EPA CompTox Dashboard
    16946849 PubChem: Thomson Pharma
    90200 Brenda
    HMDB0035764 Human Metabolome Database
    1715097 PubChem
    SCHEMBL5186165 SureChEMBL
    MCULE-9118405009 Mcule
    The data in this table is sourced from UniChem at EBI.