Dataset

Amygdalin.proton

Chemical Information

molecular Image
InChI InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12-,13+,14-,15-,16-,17+,18+,19-,20-/m0/s1
SMILES N#C[C@H](O[C@H]1O[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1
InChI Key XUCIJNAGGSZNQT-NZTIWLTLSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s242.d1394
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1394
Version
Author Peter Spiteller
Maintainer
Language english
MetadataPublished 2023-12-24 21:57:47
Related Molecule
  • nfdi4chem-mol3108 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : MeOD

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm TBI 1H-BB-D Z-GRD Z5627/001

    Temperature : 298.1 K

    magnetic field strength : 9.3935106991479 Tesla

    number of scans : 1 scans

    nuclear magnetic resonance pulse sequence : zg

    Spectral Width : 10.0171819756792

    number of data points : 26 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.