Dataset

9d[9d-F.jdx]

This dataset contains NMR spectra obtained for the sample -9d date: 2022/12/20 10:04:28.000 isFt: true name: 9d-C type: NMR SPECTRUM isFid: false lastX: -520.2361956072821 title: LJC-113-3-A.2.fid firstX: 30729.763804392718 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.782939 acquisitionScheme: undefined date: 2023/02/21 08:25:29.000 isFt: true name: 9d-F type: NMR SPECTRUM isFid: false lastX: -61722.364078126 title: LJC-113-3-A-F.3.fid firstX: 5241.921636159699 nucleus: 19F solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgflqn numberOfPoints: 131072 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 282.376114778779 acquisitionScheme: undefined date: 2022/12/20 10:00:23.000 isFt: true name: 9d-H type: NMR SPECTRUM isFid: false lastX: -767.575007509668 title: LJC-113-3-A.1.fid firstX: 8246.848069413432 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.173751275 acquisitionScheme: undefined

Chemical Information

InChI	InChI=1S/C22H17F3O2/c23-22(24,25)27-17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)26-20-9-5-4-8-18(19)20/h1-13,19,21H,14H2
SMILES	FC(F)(F)OC1=CC=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1
InChI Key	FWKDPXRMBIFPNR-UHFFFAOYSA-N

Data and Resources

9d[9d-F.jdx]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p116.s1207.d5197
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5197
Version
Author
Maintainer
Language	english
MetadataPublished	2025-05-30T12:26:38.000000Z
Related Molecule

Field	Value
Measurement Technique	1d
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['19F'] NMR spectrum by dimensionality : 1 NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : zgflqn Spectral Width : number of data points : 131072 points relaxation time measurement : seconds

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