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Depositordc.contributorKew, William
Funderdc.contributor.otherBBSRC - Biotechnology and Biological Sciences Research Councilen_UK
Spatial Coveragedc.coverage.spatialScotlanden_UK
Spatial Coveragedc.coverage.spatialUKen
Spatial Coveragedc.coverage.spatialUNITED KINGDOMen
Time Perioddc.coverage.temporalstart=2015; end=2017; scheme=W3C-DTFen
Data Creatordc.creatorKew, William
Data Creatordc.creatorBell, Nicholle G. A.
Data Creatordc.creatorUhrín, Dušan
Citationdc.identifier.citationKew, William; Bell, Nicholle G. A.; Uhrín, Dušan. (2017). NMR of Scotch Whisky Dataset, 2015-2017 [dataset]. University of Edinburgh, School of Chemistry.
Persistent Identifierdc.identifier.uri
Persistent Identifierdc.identifier.uri
Dataset Description (abstract)dc.description.abstractThis dataset contains a number of NMR spectra for a sample of Scotch Whisky. The acquisition methodology is laid out in a recent paper, "Advanced Solvent Signal Suppression for the Acquisition of 1D and 2D NMR Spectra of Scotch Whisky", in Magnetic Resonance in Chemistry - DOI: 10.1002/mrc.4621. Data are for one sample of Scotch Whisky, a 12-year-old Highland Single Malt matured in a Sherry cask. The "" file includes only the first four experiments. The experiments included are as follows: Expno 10 - 1D 1H with water suppression Expno 11 - 1D 1H reverse inept of ethanol CH2/CH3 signals Expno 12 - 1D 13C inverse gated decoupling spectrum Expno 13 - 1D 1H NMR spectrum with water and ethanol suppression. The following were acquired with solvent suppression as described in the paper, and are only included in the larger .zip file. Expno 20 - 1D CSSF-TOCSY NMR spectrum Expno 30 - BASHD-TOCSY Expno 31 - BASHD-TOCSY Expno 40 - J-Resolved Expno 50 - 1H,1H COSY Expno 60 - 1H,1H TOCSY Expno 70 - 1H,13C HSQC Expno 80 - 1H,13C HSQC-TOCSY Expno 90 - 1H,13 HMBC Data are provided in Bruker TopSpin 3.x compatible format, with all original metadata. All data acquired on a Bruker Avance III HD 600 MHz spectrometer with TCI cryoprobe using TopSpin 3.2.en_UK
Publisherdc.publisherUniversity of Edinburgh, School of Chemistryen_UK
Relation (Is Referenced By)dc.relation.isreferencedby
Rightsdc.rightsCreative Commons Attribution 4.0 International Public Licenseen
Subjectdc.subjectScotch Whiskyen_UK
Subjectdc.subjectcomplex mixturesen_UK
Subject Classificationdc.subject.classificationPhysical Sciences::Analytical Chemistryen_UK
Titledc.titleNMR of Scotch Whisky Dataseten_UK

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