Dataset

carminic acid.1d

Chemical Information

molecular Image
InChI InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19?,20?,21+/m0/s1
SMILES CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C([C@H]3O[C@@H](CO)[C@H](O)C(O)C3O)=C(O)C(O)=C1C2=O
InChI Key DGQLVPJVXFOQEV-IVUQUTFQSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p25.s178.d755
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D755
Version
Author Franziska Schulze, Juliane Titus, Peter Mettke, Stefan Berger, Hans-Ullrich Siehl, Klaus-Peter Zeller, Prof. Dr. Dieter Sicker
Maintainer
Language english
MetadataPublished 2023-12-21 13:51:02
Related Molecule
  • nfdi4chem-mol2703 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm BBO BB-1H-D Z-GRD Z8248/080

    Temperature : 323 K

    magnetic field strength : 9.3935106991479 Tesla

    number of scans : 8 scans

    nuclear magnetic resonance pulse sequence : zg

    Spectral Width : 10.0171804055553

    number of data points : 2 points

    relaxation time measurement : 1 seconds

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