Dataset

139557-96-3.c13

139557-96-3

Chemical Information

molecular Image
InChI InChI=1S/C8H9IO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,10H,5H2,1H3
SMILES COC1=CC(CO)=C(I)C=C1
InChI Key AYLPYLQTOJCHSH-UHFFFAOYSA-N
Molecular Formula C8H9IO2
Exact Mass 264.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p1.s1.d1
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-27 12:43:59
Related Molecule
  • (2-iodo-5-methoxyphenyl)methanol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : 13C

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm Multinuclear inverse Z-grad Z8255/0040

    Temperature : 298 K

    magnetic field strength : 7.047530271949235 Tesla

    number of scans : 256 scans

    nuclear magnetic resonance pulse sequence : zgdc30

    Spectral Width : 240.023590140204

    number of data points : 16384 points

    relaxation time measurement : 3 seconds

    Data-Source Molecule ID Data-Source
    8824014 surechembl
    11076301 pubchem
    Molport-051-764-363 molport
    The data in this table is sourced from UniChem at EBI.