Dataset

Pu 3-6200 Da.noesy

This dataset contains NMR spectra obtained for the sample -Pu 3-6200 Da date: 2022-06-09T14:38:11.000Z isFt: true name: Pu 3-6200 Da/1 phc0: 241.68 phc1: 0 type: NMR Spectrum DECIM: 4120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.3 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 1.3479913779007555 isComplex: true probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 298.0015 spectrumSize: 16384 baseFrequency: 400.13 fieldStrength: 9.397691313082694 numberOfScans: 128 pulseSequence: noesygppr1d spectralWidth: 12.1319224011068 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.000926999999999999 frequencyOffset: 1881.126768012109 originFrequency: 400.131881126768 pulseStrength90: 20833.333333333332 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-09T23:30:25.000Z isFt: true name: Pu 3-6200 Da/2 phc0: 63.5,0 phc1: 0,0 type: NMR Spectrum DECIM: 4120 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 1.2131922406675302 isComplex: false probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: null groupDelay: 9 temperature: 298.0007 spectrumSize: 32768,1024 baseFrequency: 400.13,400.13 fieldStrength: 9.397691313082694 numberOfScans: 256 pulseSequence: stebpgp1s19 spectralWidth: 12.1319224066753,9.91736514196476 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.001030000000000002 frequencyOffset: 1880.9431080057948,1880.9431080057948 originFrequency: 400.131880943108,400.131880943108 pulseStrength90: 20833.333333333332 experimentNumber: 2 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0

Chemical Information

molecular Image
InChI InChI=1S/C23H42O16/c1-34-6-13-19(29)21(31)20(30)15(38-13)8-35-4-9-11(2-24)37-14(18(28)16(9)26)7-36-5-10-12(3-25)39-23(33)22(32)17(10)27/h9-33H,2-8H2,1H3
SMILES COCC1OC(COCC2C(CO)OC(COCC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
InChI Key ZYEIDZAYGZWEBD-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p65.s497.d2456
License URL https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source https://nmrxiv.org/D2456
Version
Author Granzow B N, Repeta D J
Maintainer
Language english
MetadataPublished 2024-08-02 12:08:00
Related Molecule
  • 5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]methoxymethyl]oxan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-2,3,4-triol
    • Field Value
    Measurement Technique noesy
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : 1H

    NMR spectrum by dimensionality : 1

    NMR probe : Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT)

    Temperature : 298.0015 K

    magnetic field strength : 9.397691313082694 Tesla

    number of scans : 128 scans

    nuclear magnetic resonance pulse sequence : noesygppr1d

    Spectral Width : 12.1319224011068

    number of data points : 10 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    92024139 PubChem
    29257748 eMolecules
    The data in this table is sourced from UniChem at EBI.