Dataset

18d[18d-C.jdx]

This dataset contains NMR spectra obtained for the sample -18d date: 2024/03/25 16:58:22.000 isFt: true name: 18d-C type: NMR SPECTRUM isFid: false lastX: -522.220435631951 title: LJC-66-396g.2.fid firstX: 30727.779564368047 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.78796814 acquisitionScheme: undefined date: 2025/05/28 17:06:21.000 isFt: true name: 18d-F type: NMR SPECTRUM isFid: false lastX: -83104.3814545596 title: WT-20250528-5.10.fid firstX: 7804.709454531301 nucleus: 19F solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgig numberOfPoints: 131072 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 376.460716378 acquisitionScheme: undefined date: 2025/05/22 10:01:47.000 isFt: true name: 18d-H type: NMR SPECTRUM isFid: false lastX: -768.1911603854007 title: ZL-Z518d-a3.1.fid firstX: 8246.23191653765 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.193751425 acquisitionScheme: undefined

Chemical Information

molecular Image
InChI InChI=1S/C21H17FO/c22-19-12-6-4-10-16(19)18-14-21(15-8-2-1-3-9-15)23-20-13-7-5-11-17(18)20/h1-13,18,21H,14H2
SMILES FC1=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=CC=C1
InChI Key SHYKEVBUJNGVOT-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1186.d5146
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5146
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol5422 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence : zgpg30

    Spectral Width :

    number of data points : 65536 points

    relaxation time measurement : seconds

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