Dataset

HMWDOM 15m F01.

This dataset contains NMR spectra obtained for the sample -HMWDOM 15m F01 date: 2022-06-23T12:32:29.000Z isFt: true name: HMWDOM 15m F01/1 phc0: 242.68 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: 1.21319224000999 isComplex: true probeName: Z167430_0008 (CPP1.1 BBO 400S1 BB-H&F-D-05 Z XT) experiment: noesy groupDelay: 76 temperature: 298.0017 spectrumSize: 16384 baseFrequency: 400.13 fieldStrength: 9.397691313082694 numberOfScans: 128 pulseSequence: noesygppr1d spectralWidth: 12.1319224000999 numberOfPoints: 11 relaxationTime: 2 acquisitionTime: 0.0010299999999999973 frequencyOffset: 1881.1599779837707 originFrequency: 400.131881159978 pulseStrength90: 20833.333333333332 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-06-23T21:24:43.000Z isFt: true name: HMWDOM 15m F01/2 phc0: 70.6,0 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: 298.0015 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

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.s496.d2455
License URL https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source https://nmrxiv.org/D2455
Version
Author Granzow B N, Repeta D J
Maintainer
Language english
MetadataCreated 2025-02-03T16:30:41.503460
MetadataModified 2025-02-03T16:30:41.503466
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.