Dataset

20170307_WHE245915-SOLID-DIME.MP300[PROTON_01.fid]

This dataset contains NMR spectra obtained for the sample -20170307_WHE245915-SOLID-DIME.MP300 name: PROTON_01.fid phc0: -89.1266610017 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 26 baseFrequency: 300.145539457 spectralWidth: 16.00248324872443 numberOfPoints: 8192 frequencyOffset: 1800.8710000003703 originFrequency: 300.147340328

Chemical Information

molecular Image
InChI InChI=1S/C14H22O3/c1-9-4-3-5-11-7-12(15)10(6-13(16)17)8-14(9,11)2/h5,9-10,12,15H,3-4,6-8H2,1-2H3,(H,16,17)/t9-,10+,12+,14+/m0/s1
SMILES C[C@H]1CCC=C2C[C@@H](O)[C@H](CC(=O)O)C[C@@]21C
InChI Key WNCYTXJNIANWGS-UZWIWUQPSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p117.s1222.d5219
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source //nmrxiv.org/D5219
Version
Author
Maintainer
Language english
MetadataPublished 2025-06-05 13:49:37
Related Molecule
  • nfdi4chem-mol5363 (Unknown Molecule)
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : cdcl3

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : 26 K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width : 16.00248324872443

    number of data points : 8192 points

    relaxation time measurement : seconds

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