Dataset

Arbutin.aptjmod

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+/m1/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-DGORSVRFSA-N
Molecular Formula C12H16O7
Exact Mass 272.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p44.s264.d1536
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1536
Version
Author Corinna Dietrich, Viola Munzert, Klaus‐Peter Zeller, Hans‐Ullrich Siehl, Stefan Berger, Dieter Sicker
Maintainer
Language english
MetadataPublished 2023-12-25 01:25:29
Related Molecule
  • (2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
    • Field Value
    Measurement Technique a
    Measurement Variables
    NMR solvent : MeOD

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001

    Temperature : 300 K

    magnetic field strength : 14.092002289585412 Tesla

    number of scans : 16384 scans

    nuclear magnetic resonance pulse sequence : aptsp.ber

    Spectral Width : 169.903449621874

    number of data points : 1 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    6540820 PubChem
    The data in this table is sourced from UniChem at EBI.