Dataset

AEI-061aliquot1_AD_diboron_CuBr(1.0eq)_DBU_08.14.2023[1]

This dataset contains NMR spectra obtained for the sample -AEI-061aliquot1_AD_diboron_CuBr(1.0eq)_DBU_08.14.2023 date: 2023-08-14T20:46:33.000Z isFt: true name: AEI-061aliquot1_AD_diboron_CuBr(1.0eq)_DBU_08.14.2023/1 phc0: -12.34655 phc1: 15.48529 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: Acetone dimension: 1 increment: 2.856382554932157 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1479 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 8 relaxationTime: 1 acquisitionTime: 0.00035000000000030666 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 24703.557312252968 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

InChI	InChI=1S/C20H26O2/c1-19-10-8-14(21)12-13(19)6-7-15-16-4-3-5-18(22)20(16,2)11-9-17(15)19/h8,10,12,15-17H,3-7,9,11H2,1-2H3/t15?,16?,17?,19-,20-/m0/s1
SMILES	C[C@]12C=CC(=O)C=C1CCC1C2CC[C@]2(C)C(=O)CCCC12
InChI Key	RINQDJGONOWADV-GTSVPISWSA-N

Data and Resources

AEI-061aliquot1_AD_diboron_CuBr(1.0eq)_DBU_08.1...HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p100.s894.d4422
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D4422
Version
Author
Maintainer
Language	english
MetadataPublished	2025-03-24T17:30:25.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : Acetone acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) Temperature : 298.1479 K magnetic field strength : 11.746350827011339 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 19.9946778845251 number of data points : 8 points relaxation time measurement : 1 seconds

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