Dataset

4-(1-Hydroxyethyl)benzoic acid isopropylester.1d

4-(1-Hydroxyethyl)benzoic acid isopropylester

Chemical Information

molecular Image
InChI InChI=1S/C12H16O3/c1-8(2)15-12(14)11-6-4-10(5-7-11)9(3)13/h4-9,13H,1-3H3
SMILES CC(C)OC(=O)C1=CC=C(C(C)O)C=C1
InChI Key XLJDPAYYVIVVLW-UHFFFAOYSA-N
Molecular Formula C12H16O3
Exact Mass 208.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p9.s53.d206
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D206
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-28 13:22:44
Related Molecule
  • propan-2-yl 4-(1-hydroxyethyl)benzoate
    • 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 DUL 13C-1H/2H Z-GRD Z8246/00076

    Temperature : 295.6 K

    magnetic field strength : 9.395924247896135 Tesla

    number of scans : 1024 scans

    nuclear magnetic resonance pulse sequence : zgpg30

    Spectral Width : 306.709326982846

    number of data points : 24 points

    relaxation time measurement : 2.2 seconds

    Data-Source Molecule ID Data-Source
    85373555 PubChem
    J3.294.213J Nikkaji
    The data in this table is sourced from UniChem at EBI.