Dataset

2216-51-5[hmbc.dx]

2216-51-5

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 CC1CC[C@@H](C(C)C)C(O)C1
InChI Key NOOLISFMXDJSKH-KYHHOPLUSA-N
Molecular Formula C10H20O
Exact Mass 156.260 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p10.s59.d272
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D272
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-28T13:30:58.000000Z
Related Molecule
  • (2S)-5-methyl-2-propan-2-ylcyclohexan-1-ol
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    NMR solvent : DMSO

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

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm BBO BB-1H/D Z-GRD Z8478/0071

    Temperature : 298 K

    magnetic field strength : 14.096654402599738 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : hmbcgplpndqf

    Spectral Width : [5.70064141487484, 90]

    number of data points : [2048, 256] points

    relaxation time measurement : 1.5 seconds

    Data-Source Molecule ID Data-Source
    12285349 PubChem
    SCHEMBL12646785 SureChEMBL
    The data in this table is sourced from UniChem at EBI.