Dataset

29d[29d-H1.jdx]

This dataset contains NMR spectra obtained for the sample -29d date: 2024/01/10 03:40:51.000 isFt: true name: 29d-C type: NMR SPECTRUM isFid: false lastX: -3523.6502542884537 title: 8V7cmS firstX: 23649.349745711545 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: null pulseSequence: s1pulpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 100.576899624294 acquisitionScheme: undefined date: 2025/05/28 16:55:11.000 isFt: true name: 29d-F type: NMR SPECTRUM isFid: false lastX: -83104.3814545596 title: WT-20250528-3.10.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: 2024/01/08 23:56:41.000 isFt: true name: 29d-H type: NMR SPECTRUM isFid: false lastX: -1655.15177075419 title: 20240109A085C-LJC-11C.1.fid firstX: 6541.569540721201 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 400.132470802 acquisitionScheme: undefined date: 2025/05/27 15:35:15.000 isFt: true name: 29d-H1 type: NMR SPECTRUM isFid: false lastX: -768.2536857526086 title: HXY-17-59-1.1.fid firstX: 8246.03184199019 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/C22H19FO/c1-15-13-17(23)11-12-18(15)20-14-22(16-7-3-2-4-8-16)24-21-10-6-5-9-19(20)21/h2-13,20,22H,14H2,1H3
SMILES CC1=CC(F)=CC=C1C1CC(C2=CC=CC=C2)OC2=CC=CC=C21
InChI Key NJSZXPJSQKOXEE-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p116.s1195.d5172
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5172
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-30T12:26:38.000000Z
Related Molecule
  • nfdi4chem-mol9461 (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.