Dataset

Suwannee River Humic Acid.noesy

This dataset contains NMR spectra obtained for the sample -Suwannee River Humic Acid date: 2022-06-12T15:06:40.000Z isFt: true name: Suwannee River Humic Acid/1 phc0: 243.68 phc1: 0 type: NMR Spectrum DECIM: 4120 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 1.3479913712777445 isComplex: true probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 298.0011 spectrumSize: 16384 baseFrequency: 400.13 fieldStrength: 9.397691313082694 numberOfScans: 128 pulseSequence: noesygppr1d spectralWidth: 12.1319223414997 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0009270000000000007 frequencyOffset: 1883.0927130011332 originFrequency: 400.131883092713 pulseStrength90: 20833.333333333332 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-12T23:58:54.000Z isFt: true name: Suwannee River Humic Acid/2 phc0: 62.4,0 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: 298.0005 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/C24H18O14/c25-11(2-1-3-13(27)28)17-12(26)7-10(22(32)33)16(20(17)31)19(30)9-6-8-4-5-14(29)38-21(8)18(24(36)37)15(9)23(34)35/h6-7,26,31H,1-5H2,(H,27,28)(H,32,33)(H,34,35)(H,36,37)
SMILES O=C(O)CCCC(=O)C1=C(O)C(C(=O)C2=C(C(=O)O)C(C(=O)O)=C3OC(=O)CCC3=C2)=C(C(=O)O)C=C1O
InChI Key WTQPGNBGBDOTRU-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p65.s492.d2446
License URL https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source https://nmrxiv.org/D2446
Version
Author Granzow B N, Repeta D J
Maintainer
Language english
MetadataPublished 2024-08-02 12:08:00
Related Molecule
  • nfdi4chem-mol7328 (Unknown Molecule)
    • 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 : 298.0011 K

    magnetic field strength : 9.397691313082694 Tesla

    number of scans : 128 scans

    nuclear magnetic resonance pulse sequence : noesygppr1d

    Spectral Width : 12.1319223414997

    number of data points : 10 points

    relaxation time measurement : 2 seconds

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