@prefix adms: . @prefix bfo: . @prefix chebi: . @prefix cheminf: . @prefix chmo: . @prefix dcat: . @prefix dcatap: . @prefix dct: . @prefix foaf: . @prefix ns1: . @prefix prov: . @prefix schema1: . @prefix sio: . @prefix skos: . @prefix xsd: . a dcat:Dataset ; dcatap:applicableLegislation ; dct:conformsTo [ a dct:Standard ; dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ; dct:title "ChemDCAT-AP" ] ; dct:description "This dataset contains NMR spectra obtained for the sample -butyl acrylate date: 2006-02-21T14:47:00.000Z isFt: true name: butyl acrylate/10 phc0: 153.7297 phc1: -4 type: NMR Spectrum DECIM: 16 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, XWIN-NMR Version 3.6 DSPFVS: 12 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00031467867742871445 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014 experiment: 1d temperature: 300 spectrumSize: 32768 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 32 pulseSequence: zg30 spectralWidth: 20.6224671252908 numberOfPoints: 65536 relaxationTime: 2 acquisitionTime: 2.6476140000000057 frequencyOffset: 3706.0484139601613 originFrequency: 600.133706048414 pulseStrength90: 29411.764705882353 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 0 date: 2006-02-21T15:14:08.000Z isFt: false name: butyl acrylate/11 phc0: -69.7384 phc1: -66.6001 type: NMR FID DECIM: 4 aqMod: 1 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 10 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000013900000000000008 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014 experiment: 1d temperature: 300 spectrumSize: 32768 baseFrequency: 150.902809 digitalFilter: 66.625 fieldStrength: 14.092007892665164 numberOfScans: 8192 pulseSequence: zgpg30 spectralWidth: 238.349614631325 numberOfPoints: 5 relaxationTime: 2 acquisitionTime: 0.00005560000000000003 frequencyOffset: 15089.806853012533 originFrequency: 150.917898806853 pulseStrength90: 18656.716417910447 experimentNumber: 11 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 0 isFt: false name: butyl acrylate/12 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32,1 aqMod: 3,2 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12,0 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00011120000000000006 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014, experiment: cosy temperature: 300,300 spectrumSize: 1024,1024 baseFrequency: 600.13,600.13 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 16,16 pulseSequence: cosygpqf,mlevtp spectralWidth: 7.49235686957435,7.49235686957435 numberOfPoints: 8 relaxationTime: 1.388178 acquisitionTime: 0.0007784000000000004 frequencyOffset: 1968.6142079535784,1968.6142079535784 originFrequency: 600.131968614208,600.131968614208 pulseStrength90: 29411.764705882353 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3 isFt: false name: butyl acrylate/13 phc0: 286.6095,0 phc1: -16.2,0 type: NMR FID DECIM: 32,1 aqMod: 3,2 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12,0 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00011120000000000006 isComplex: true probeName: 5 mm PATXI 1H/D-13C/15N Z-GRD Z855801/0014,09 experiment: hsqc temperature: 300,300 spectrumSize: 1024,1024 baseFrequency: 600.13,150.902809 digitalFilter: 72.125 fieldStrength: 14.095010340939984 numberOfScans: 64,16 pulseSequence: hsqcedetgp,hxco spectralWidth: 7.49235686957435,165.657191919706 numberOfPoints: 8 relaxationTime: 1.450029 acquisitionTime: 0.0007784000000000004 frequencyOffset: 1968.6142079535784,11254.617096000175 originFrequency: 600.131968614208,150.914063617096 pulseStrength90: 29411.764705882353 experimentNumber: 13 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4" ; dct:identifier "https://doi.org/10.57992/nmrxiv.p73.s602.d3208" ; dct:issued "2025-02-03"^^xsd:date ; dct:language [ a dct:LinguisticSystem ; dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ; dct:title "en" ] ; dct:modified "2025-02-03"^^xsd:date ; dct:publisher [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ; skos:prefLabel "Academia/Scientific organisation" ] ; foaf:name "nmrXiv" ] ; dct:subject ; dct:title "butyl acrylate.hsqc" ; adms:identifier [ a adms:Identifier ; dct:description "The DOI of this dataset" ; dct:title "DOI" ; skos:notation "10.57992/nmrxiv.p73.s602.d3208" ], [ a adms:Identifier ; dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ; dct:title "Search Service ID" ; skos:notation "https://search.nfdi4chem.de/dataset/nmrxiv-d3208" ] ; dcat:landingPage ; prov:wasGeneratedBy . chmo:0000604 a schema1:DefinedTerm ; schema1:name "heteronuclear single quantum coherence" . a ; dct:title "Attribution-ShareAlike 4.0 International" . a chmo:0000604, prov:Activity ; dct:description "The kind of activity/process used to generate the dataset" ; prov:used . a foaf:Document . a chebi:23367 ; sio:000008 [ a cheminf:000042 ; dct:title "assigned molecular formula" ; prov:value "C7H12O2" ], [ a cheminf:000059 ; dct:title "assigned InChIKey" ; prov:value "CQEYYJKEWSMYFG-UHFFFAOYSA-N" ], [ a ; dct:title "assigned exact mass" ; ns1:hasQuantityKind ; ns1:unit ; prov:value "128.17"^^xsd:float ], [ a cheminf:000113 ; dct:title "assigned InChI" ; prov:value "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3" ], [ a cheminf:000018 ; dct:title "assigned SMILES" ; prov:value "C=CC(=O)OCCCC" ] . a sio:001378 ; bfo:0000051 ; dct:title "evaluated sample" .