Dataset

HMWDOM 915m F03.noesy

This dataset contains NMR spectra obtained for the sample -HMWDOM 915m F03 date: 2022-06-18T23:58:33.000Z isFt: true name: HMWDOM 915m F03/1 phc0: 232.36 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: 1.3479913775388 isComplex: true probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 298.0007 spectrumSize: 16384 baseFrequency: 400.13 fieldStrength: 9.397691313082694 numberOfScans: 128 pulseSequence: noesygppr1d spectralWidth: 12.1319223978492 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0009269999999999974 frequencyOffset: 1881.2342100318347 originFrequency: 400.13188123421 pulseStrength90: 20833.333333333332 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-19T08:50:47.000Z isFt: true name: HMWDOM 915m F03/2 phc0: 58,0 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: 1.1029020369704818 isComplex: false probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: null groupDelay: 9 temperature: 297.9999 spectrumSize: 32768,1024 baseFrequency: 400.13,400.13 fieldStrength: 9.397691313082694 numberOfScans: 256 pulseSequence: stebpgp1s19 spectralWidth: 12.1319224066753,9.91736514196476 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.001133000000000002 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 Info

InChI	InChI=1S/C14H25NO10/c1-4-12(10(20)11(21)13(22)23-4)25-14-7(15-5(2)17)9(19)8(18)6(3-16)24-14/h4,6-14,16,18-22H,3H2,1-2H3,(H,15,17)
SMILES	CC(=O)NC1C(OC2C(C)OC(O)C(O)C2O)OC(CO)C(O)C1O
InChI Key	AAXKQQFZVKGBOL-UHFFFAOYSA-N

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p65.s491.d2444
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D2444
Version
Author	Granzow B N, Repeta D J
Maintainer
Language	english
MetadataCreated	2025-02-03T16:30:34.082115
MetadataModified	2025-02-03T16:30:34.082122
MetadataPublished	2024-08-02 12:08:00

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 : 298.0007 K magnetic field strength : 9.397691313082694 Tesla number of scans : 128 scans nuclear magnetic resonance pulse sequence : noesygppr1d Spectral Width : 12.1319223978492 number of data points : 10 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
75955054	PubChem
The data in this table is sourced from UniChem at EBI.