Dataset

Pu 2-1320 Da.noesy

This dataset contains NMR spectra obtained for the sample -Pu 2-1320 Da date: 2022-06-09T05:34:37.000Z isFt: true name: Pu 2-1320 Da/1 phc0: 242.54 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: 1.3479913778832333 isComplex: true probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 298.0009 spectrumSize: 16384 baseFrequency: 400.13 fieldStrength: 9.397691313082694 numberOfScans: 128 pulseSequence: noesygppr1d spectralWidth: 12.1319224009491 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0009269999999999997 frequencyOffset: 1881.1319690144046 originFrequency: 400.131881131969 pulseStrength90: 20833.333333333332 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-09T14:26:50.000Z isFt: true name: Pu 2-1320 Da/2 phc0: 65.4,0 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: 297.9993 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 Info

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

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p65.s473.d2408
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D2408
Version
Author	Granzow B N, Repeta D J
Maintainer
Language	english
MetadataCreated	2025-02-03T16:31:05.597006
MetadataModified	2025-02-03T16:31:05.597011
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 : 298.0009 K magnetic field strength : 9.397691313082694 Tesla number of scans : 128 scans nuclear magnetic resonance pulse sequence : noesygppr1d Spectral Width : 12.1319224009491 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.