Dataset

140-67-0[hmbc.dx]

140-67-0

Chemical Information

molecular Image
InChI InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
SMILES C=CCC1=CC=C(OC)C=C1
InChI Key ZFMSMUAANRJZFM-UHFFFAOYSA-N
Molecular Formula C10H12O
Exact Mass 148.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p10.s66.d340
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D340
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-28T13:30:58.000000Z
Related Molecule
  • 1-methoxy-4-prop-2-enylbenzene
    • 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 BBI 1H-BB-D Z-GRD LTB Z5542/0003

    Temperature : 297.9 K

    magnetic field strength : 11.746350827011339 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : hmbcgplpndqf

    Spectral Width : [6.40855637167558, 162.597044607601]

    number of data points : [2048, 512] points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    CHEBI:4867 chebi
    CHEMBL470671 chembl
    57204 surechembl
    8815 pubchem
    9NIW07V3ET fdasrs
    PD000619 probes_and_drugs
    VUXJOO CCDC
    183533 brenda
    183534 brenda
    192253 brenda
    32431 brenda
    77010 brenda
    HMDB0034121 hmdb
    Molport-000-156-967 molport
    The data in this table is sourced from UniChem at EBI.