Dataset

Caripyrin.cosy

caripyrin_1314534-36-5

Chemical Information

molecular Image
InChI InChI=1S/C10H11NO3/c1-6-9(14-6)7-3-4-8(11-5-7)10(12)13-2/h3-6,9H,1-2H3/t6-,9+/m0/s1
SMILES COC(=O)C1=NC=C([C@@H]2O[C@H]2C)C=C1
InChI Key DLDOQXDHLFJKLM-IMTBSYHQSA-N
Molecular Formula C10H11NO3
Exact Mass 193.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p14.s81.d477
License URL https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source https://nmrxiv.org/D477
Version
Author Rieger PH, Liermann JC, Opatz T, Anke H, Thines E.
Maintainer
Language english
MetadataPublished 2022-11-10 17:46:02
Related Molecule
  • methyl 5-[(2S,3S)-3-methyloxiran-2-yl]pyridine-2-carboxylate
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : 1H , 1H

    NMR spectrum by dimensionality : 2

    NMR probe : Z75812_0080 (CP TCI 600S3 H-C/N-D-05 Z)

    Temperature : 293.9985 K

    irradiation frequency : 600.13 MHz , 600.13 MHz

    magnetic field strength : 14.095010340939984 Tesla

    number of scans : 2 scans

    nuclear magnetic resonance pulse sequence : cosygpmfqf

    Spectral Width : 13.3517276898267 , 13.3517276898267

    number of data points : 8 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    50936726 PubChem
    J2.864.283K Nikkaji
    20204179 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.