Dataset

17d[17d-H.jdx]

This dataset contains NMR spectra obtained for the sample -17d date: 2024/03/21 17:13:13.000 isFt: true name: 17d-C type: NMR SPECTRUM isFid: false lastX: -523.9685437243314 title: LJC-66-395g.2.fid firstX: 30726.03145627567 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 17:01:07.000 isFt: true name: 17d-F type: NMR SPECTRUM isFid: false lastX: -83104.3814545596 title: WT-20250528-4.10.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: 2025/05/13 16:39:42.000 isFt: true name: 17d-H type: NMR SPECTRUM isFid: false lastX: -768.041104474807 title: ZL-Z517d-1.1.fid firstX: 8246.381972448244 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/c22-17-10-6-9-16(13-17)19-14-21(15-7-2-1-3-8-15)23-20-12-5-4-11-18(19)20/h1-13,19,21H,14H2
SMILES FC1=CC(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)=CC=C1
InChI Key CMBALZDMPJSJQF-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1209.d5204
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5204
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol8637 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence : zg30

    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.