Dataset

25.1d

This dataset contains NMR spectra obtained for the sample -25 date: 2022-06-28T04:53:25.000Z isFt: true name: 25/1 phc0: -1.259059 phc1: 40.87233 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: 0.4998669471131275 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1492 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 41 relaxationTime: 1 acquisitionTime: 0.0020000000000017525 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19516.003122560498 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-28T06:15:05.000Z isFt: true name: 25/2 phc0: -67.18178 phc1: -43.79139 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 59.15921633519825 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 76 temperature: 298.1506 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 1024 pulseSequence: udeft spectralWidth: 236.636865340793 numberOfPoints: 5 relaxationTime: 4 acquisitionTime: 0.0000672 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 15384.615384615385 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C37H52O13/c1-18(38)27-11-12-28-26-10-9-24-15-25(13-14-36(24,7)29(26)16-31(37(27,28)8)45-20(3)40)49-35-34(48-23(6)43)33(47-22(5)42)32(46-21(4)41)30(50-35)17-44-19(2)39/h9,25-35H,10-17H2,1-8H3
SMILES CC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CC(OC(C)=O)C3(C)C(C(C)=O)CCC43)C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChI Key RRBGJDFXUXNMPJ-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p69.s540.d2835
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source https://nmrxiv.org/D2835
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-05 22:00:45
Related Molecule
  • nfdi4chem-mol5148 (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 : 298.1492 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 : 41 points

    relaxation time measurement : 1 seconds

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