Dataset

14434-41-4.hmqc

14434-41-4

Chemical Information

molecular Image
InChI InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3
SMILES C=CC(=C)CC(O)C=C(C)C
InChI Key NHMKYUHMPXBMFI-UHFFFAOYSA-N
Molecular Formula C10H16O
Exact Mass 152.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p10.s70.d406
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D406
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-28 13:30:58
Related Molecule
  • 2-methyl-6-methylideneocta-2,7-dien-4-ol
    • Field Value
    Measurement Technique heteronuclear multiple quantum coherence
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : 1H , 13C

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm BBI 1H-BB-D Z-GRD LTB Z5542/0003

    Temperature : 300 K

    irradiation frequency : 500.13 MHz , 125.757739 MHz

    magnetic field strength : 11.746350827011339 Tesla

    number of scans : 4 scans

    nuclear magnetic resonance pulse sequence : hmqcgpqf

    Spectral Width : 5.25071441266616 , 139.985225599354

    number of data points : [1024, 256] points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    85734 PubChem
    CB8885012 ChemicalBook
    54809-53-9 ACToR
    6204705 eMolecules
    14434-41-4 ACToR
    15934668 PubChem: Thomson Pharma
    35628-00-3 ACToR
    SCHEMBL854900 SureChEMBL
    208015 Brenda
    40054985 NMRShiftDB
    J47.114C Nikkaji
    The data in this table is sourced from UniChem at EBI.