Dataset

Raffinose.

Chemical Information

molecular Image
InChI InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5?,6-,7?,8+,9-,10?,11?,12?,13+,14+,15+,16+,17-,18+/m1/s1
SMILES OCC1O[C@H](OCC2O[C@H](O[C@]3(CO)O[C@H](CO)C(O)[C@@H]3O)[C@@H](O)C(O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
InChI Key MUPFEKGTMRGPLJ-GEPQCSQVSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p34.s226.d1301
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1301
Version
Author Markus Winkler, Katrin Steinke, Ramona Oehme, Prof. Dr. Stefan Berger, Prof. Dr. Dieter Sicker, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller
Maintainer
Language english
MetadataPublished 2023-12-21 15:15:13
Related Molecule
  • nfdi4chem-mol5725 (Unknown Molecule)
    • Field Value
    Measurement Technique aptjmod
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006

    Temperature : 298 K

    magnetic field strength : 16.444844184625595 Tesla

    number of scans : 4 scans

    nuclear magnetic resonance pulse sequence : selmlgp.ber

    Spectral Width : 2.99538060273868

    number of data points : 3 points

    relaxation time measurement : 2 seconds

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