Dataset

SI_Outreach_4_2F_C_2nd_column_lime_05312024.1d

This dataset contains NMR spectra obtained for the sample -SI_Outreach_4_2F_C_2nd_column_lime_05312024 date: 2024-05-31T20:49:14.000Z isFt: true name: SI_Outreach_4_2F_C_2nd_column_lime_05312024/1 phc0: -27.52369 phc1: 40.01295 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 4.998669471131275 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1501 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00020000000000017524 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19607.843137254902 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Info

InChI	InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-13-17(22-4)12-16-8-9-19(21)24-20(16)18/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
SMILES	COC1=CC(OC/C=C(\C)CCC=C(C)C)=C2OC(=O)C=CC2=C1
InChI Key	RYLVZXZNMTZICA-XNTDXEJSSA-N

Data and Resources

SI_Outreach_4_2F_C_2nd_column_lime_05312024.1dHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p78.s659.d3362
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source	https://nmrxiv.org/D3362
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Author
Maintainer
Language	english
MetadataCreated	2025-02-03T16:05:59.116775
MetadataModified	2025-02-03T16:05:59.116781
MetadataPublished	2024-08-02 19:43:39
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 : Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) Temperature : 298.1501 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 : 5 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
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