Dataset

Eucalyptol 400 MHz in CDCl3 NMR data [Eucalyptol_9070ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]

Eucalyptol 400 MHz in CDCl3 NMR data

Chemical Information

molecular Image
InChI InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
SMILES CC12CCC(CC1)C(C)(C)O2
InChI Key WEEGYLXZBRQIMU-UHFFFAOYSA-N
Molecular Formula C10H18O
Exact Mass 154.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s218.d1202
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D1202
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataPublished 2023-12-21T14:26:13.000000Z
Related Molecule
  • 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
    • Field Value
    Measurement Technique 2d
    Measurement Variables
    NMR solvent : CHLOROFORM-D

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

    NMR spectrum by dimensionality : 2

    NMR probe : 3448

    Temperature : 298.15 K

    magnetic field strength : 9.389766 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : hsqcad_auto.jxp

    Spectral Width : [18.74521883806515, 170.1050644511075]

    number of data points : 1024 points

    relaxation time measurement : 1.5 seconds

    Data-Source Molecule ID Data-Source
    LMPR0102090019 lipidmaps
    CHEMBL485259 chembl
    19622 surechembl
    2758 pubchem
    RV6J6604TK fdasrs
    2464 gtopdb
    PD002333 probes_and_drugs
    239929 brenda
    100697 bindingdb
    109978 bindingdb
    51121716 bindingdb
    51525195 bindingdb
    Molport-003-929-343 molport
    4259 drugcentral
    The data in this table is sourced from UniChem at EBI.