Dataset

Compound 11[1H]

This dataset contains NMR spectra obtained for the sample -Compound 11 date: 2023-10-19T18:01:47.000Z isFt: true name: Compound 11/0 phc0: -99.78 phc1: 0 type: NMR Spectrum DECIM: 584 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 25.229266676075557 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 298.0012 spectrumSize: 262144 baseFrequency: 150.80725745 fieldStrength: 14.083084843414596 numberOfScans: 2048 pulseSequence: zgzrse spectralWidth: 227.06340008468 numberOfPoints: 10 relaxationTime: 0.1 acquisitionTime: 0.00013139999999999997 frequencyOffset: 16588.79599997931 originFrequency: 150.823846246 pulseStrength90: 20833.333333333332 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-10-19T17:36:18.000Z isFt: true name: Compound 11/0 phc0: -82 phc1: 0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.205494134841367 isComplex: true probeName: Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 297.9991 spectrumSize: 131072 baseFrequency: 599.75 fieldStrength: 14.086085434787059 numberOfScans: 32 pulseSequence: zg30 spectralWidth: 19.8494472135723 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0003779999999999998 frequencyOffset: 2818.1349999840677 originFrequency: 599.752818135 pulseStrength90: 36390.101892285296 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C49H67NO8Si/c1-29-19-17-23-36(58-59(12,13)47(7,8)9)25-26-39(51)57-49-37(24-18-20-29)45(33(5)30(2)41(49)38(50-46(49)55)27-35-21-15-14-16-22-35)56-40(52)28-48(10,11)42-34(6)43(53)31(3)32(4)44(42)54/h14-16,18,21-22,24-26,29-30,36-38,41,45H,5,17,19-20,23,27-28H2,1-4,6-13H3,(H,50,55)/b24-18+,26-25+/t29-,30-,36-,37+,38+,41+,45-,49-/m1/s1
SMILES C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1OC(=O)CC(C)(C)C1=C(C)C(=O)C(C)=C(C)C1=O
InChI Key SPLXPMIDJMIBDP-YPABLJGOSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p77.s615.d3270
License URL https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source https://nmrxiv.org/D3270
Version
Author
Maintainer
Language english
MetadataPublished 2024-06-26T18:23:18.000000Z
Related Molecule
  • nfdi4chem-mol5230 (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 : Z168362_0005 (CP2.1 QCI 600S3 H&F/P/C-N-D-05 Z XT)

    Temperature : 297.9991 K

    magnetic field strength : 14.086085434787059 Tesla

    number of scans : 32 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 19.8494472135723

    number of data points : 10 points

    relaxation time measurement : 2 seconds

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