Dataset

9B_partially_reduced_THXI-033C_NaBH4_3_keto_d4_12_pyridine_17_keto_10012024_FULL[7]

Chemical Information

molecular Image
InChI InChI=1S/C22H27NO2/c1-21-10-9-14(24)12-13(21)5-6-15-17-7-8-18(25)22(17,2)20-16(19(15)21)4-3-11-23-20/h3-4,11-12,15,17-19,25H,5-10H2,1-2H3/t15-,17-,18-,19+,21-,22-/m0/s1
SMILES C[C@]12C3=C(C=CC=N3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
InChI Key NLKDGITXERXTDS-WWQOINPNSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p155.s1556.d6881
License URL https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source https://nmrxiv.org/D6881
Version
Author
Maintainer
Language english
MetadataPublished 2025-12-26T01:36:47.000000Z
Related Molecule
  • nfdi4chem-mol9868 (Unknown Molecule)
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z)

    Temperature : 298.1469 K

    magnetic field strength : 11.744561760260211 Tesla

    number of scans : 32 scans

    nuclear magnetic resonance pulse sequence : deptsp135

    Spectral Width : 160.305598442561

    number of data points : 65536 points

    relaxation time measurement : 2 seconds

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