Dataset

Arbutin[4]

This dataset contains NMR spectra obtained for the sample containing Arbutin

Chemical Information

molecular Image
InChI InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9+,10+,11+,12+/m0/s1
SMILES OC[C@H]1O[C@H](OC2=CC=C(O)C=C2)[C@@H](O)[C@@H](O)[C@H]1O
InChI Key BJRNKVDFDLYUGJ-VSSNEEPJSA-N
Exact Mass 272.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p44.s1295.d5645
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5645
Version
Author Corinna Dietrich, Viola Munzert, Klaus‐Peter Zeller, Hans‐Ullrich Siehl, Stefan Berger, Dieter Sicker
Maintainer
Language english
MetadataPublished 2025-08-31T13:46:09.000000Z
Related Molecule
  • (2S,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent :

    acquisition nucleus :

    NMR spectrum by dimensionality :

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    ZINC000003869520 ZINC
    7059407 PubChem
    The data in this table is sourced from UniChem at EBI.