Dataset

7d[7d-H.jdx]

This dataset contains NMR spectra obtained for the sample -7d date: 2023/12/29 12:40:37.000 isFt: true name: 7d-C type: NMR SPECTRUM isFid: false lastX: -2171.4360851472816 title: LJC-4C.11.fid firstX: 33886.25622254502 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 150.928712851035 acquisitionScheme: undefined date: 2023/12/29 12:37:34.000 isFt: true name: 7d-H type: NMR SPECTRUM isFid: false lastX: -2303.31995462269 title: LJC-4C.10.fid firstX: 9715.91081460801 nucleus: 1H solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zg30 numberOfPoints: 131072 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 600.17370629543 acquisitionScheme: undefined

Chemical Information

InChI	InChI=1S/C22H20O/c1-16-9-5-6-12-18(16)20-15-22(17-10-3-2-4-11-17)23-21-14-8-7-13-19(20)21/h2-14,20,22H,15H2,1H3
SMILES	CC1=C(C2CC(C3=CC=CC=C3)OC3=CC=CC=C32)C=CC=C1
InChI Key	MLFHJANYCULEAM-UHFFFAOYSA-N

Data and Resources

7d[7d-H.jdx]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p116.s1204.d5191
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5191
Version
Author
Maintainer
Language	english
MetadataPublished	2025-05-30T12:26:38.000000Z
Related 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 : 131072 points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
91563043	pubchem
The data in this table is sourced from UniChem at EBI.