Dataset

3[1]

This dataset contains NMR spectra obtained for the sample -3 date: 2020-04-18T21:26:30.000Z isFt: true name: 3/1 phc0: -59.13811 phc1: 43.99625 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.5261757338032921 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1504 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 39 relaxationTime: 1 acquisitionTime: 0.001900000000001665 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 25000 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-04-18T21:33:11.000Z isFt: true name: 3/2 phc0: 34.2318 phc1: 191.2 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.7 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 9.101417897722847 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9838256835938 temperature: 298.15 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 64 pulseSequence: udeft spectralWidth: 236.636865340794 numberOfPoints: 27 relaxationTime: 4 acquisitionTime: 0.0004367999999999981 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 16666.666666666668 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C27H44O4Si/c1-17(28)30-24-16-22-20(21-11-12-23(29)27(21,24)6)10-9-18-15-19(13-14-26(18,22)5)31-32(7,8)25(2,3)4/h9,19-22,24H,10-16H2,1-8H3
SMILES CC(=O)OC1CC2C(CC=C3CC(O[Si](C)(C)C(C)(C)C)CCC32C)C2CCC(=O)C12C
InChI Key HONPTADMXPUUSP-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p69.s537.d2830
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source https://nmrxiv.org/D2830
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-05T22:00:45.000000Z
Related Molecule
  • nfdi4chem-mol6464 (Unknown 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 : Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z)

    Temperature : 298.1504 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 : 39 points

    relaxation time measurement : 1 seconds

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