Dataset

21d[21d-C.jdx]

This dataset contains NMR spectra obtained for the sample -21d date: 2023/03/20 16:55:56.000 isFt: true name: 21d-C type: NMR SPECTRUM isFid: false lastX: -524.5961059965695 title: LJC-120-13-A.2.fid firstX: 30725.40389400333 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.782938675584 acquisitionScheme: undefined date: 2023/03/20 16:51:53.000 isFt: true name: 21d-H type: NMR SPECTRUM isFid: false lastX: -1911.45100001241 title: LJC-120-13-A.11.fid firstX: 8088.54899997887 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 500.173088549 acquisitionScheme: undefined

Chemical Information

InChI	InChI=1S/C21H17BrO/c22-17-12-10-15(11-13-17)19-14-21(16-6-2-1-3-7-16)23-20-9-5-4-8-18(19)20/h1-13,19,21H,14H2
SMILES	BrC1=CC=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=C1
InChI Key	CWIROMXPLMFMOB-UHFFFAOYSA-N

Data and Resources

21d[21d-C.jdx]HTML

Go to source

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p116.s1183.d5140
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5140
Version
Author
Maintainer
Language	english
MetadataPublished	2025-05-30T12:26:38.000000Z
Related 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.