Dataset

HMWDOM 628m Whole.

This dataset contains NMR spectra obtained for the sample -HMWDOM 628m Whole date: 2020-08-21T02:34:39.000Z isFt: true name: HMWDOM 628m Whole/1 phc0: 24.65,0 phc1: 0,0 type: NMR Spectrum DECIM: 4120 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.3192611159651395 isComplex: false probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: null groupDelay: 76 temperature: 292.8867 spectrumSize: 2048,1024 baseFrequency: 400.13,400.13 fieldStrength: 9.397691313082694 numberOfScans: 256 pulseSequence: stebpgp1s19 spectralWidth: 12.1319224066753,9.91736514196475 numberOfPoints: 39 relaxationTime: 2 acquisitionTime: 0.003914000000000008 frequencyOffset: 1880.9431080057948,1880.9431080057948 originFrequency: 400.131880943108,400.131880943108 pulseStrength90: 20833.333333333332 experimentNumber: 1 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2020-08-20T17:55:59.000Z isFt: true name: HMWDOM 628m Whole/2 phc0: 18.48 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: 1.7331317639730714 isComplex: true probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 292.9376 spectrumSize: 2048 baseFrequency: 400.13 fieldStrength: 9.397691313082694 numberOfScans: 128 pulseSequence: noesygppr1d spectralWidth: 12.1319223478115 numberOfPoints: 8 relaxationTime: 2 acquisitionTime: 0.0007210000000000004 frequencyOffset: 1882.884538986218 originFrequency: 400.131882884539 pulseStrength90: 20833.333333333332 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p65.s490.d2442
License URL https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source https://nmrxiv.org/D2442
Version
Author Granzow B N, Repeta D J
Maintainer
Language english
MetadataCreated 2025-02-03T15:45:05.967428
MetadataModified 2025-02-03T15:45:05.967435
MetadataPublished 2024-08-02 12:08:00
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
75955054 PubChem
The data in this table is sourced from UniChem at EBI.