@prefix adms: . @prefix bfo: . @prefix chebi: . @prefix cheminf: . @prefix dcat: . @prefix dcatap: . @prefix dct: . @prefix foaf: . @prefix obi: . @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 -Caledonixanthone P date: {\"year\":2022,\"month\":2,\"day\":28} isFt: false name: Caledonixanthone P_Carbon-1-1.jdf type: NMR SPECTRUM isFid: true title: title: MC11c-acetone / comment: single pulse decoupled gated NOE / author:delta / site: author: delta nucleus: 13C solvent: ACETONE-D6 metadata: [object Object] dimension: 1 isComplex: true probeName: 2774 experiment: 1d sampleName: MC11c-acetone temperature: 292.04999999999995 baseFrequency: 100.54933803934405 digitalFilter: 19.655650138854977 fieldStrength: 9.389766 numberOfScans: 11807 pulseSequence: carbon.jxp spectralWidth: 314.0070760448474 numberOfPoints: 32768 relaxationTime: 2 acquisitionMode: 0 acquisitionTime: 1.03809024 frequencyOffset: 10054.933803934406 originFrequency: 100.52530332516541 pulseStrength90: 23992.322456813818 spectralWidthClipped: 251145614.1326775 date: {\"year\":2022,\"month\":2,\"day\":0} isFt: false name: Caledonixanthone P_HMBC-1-1.jdf type: NMR SPECTRUM isFid: true title: title: MC11c-acetone / comment: gradient enhanced HMBC / author:delta / site: author: delta nucleus: 1H,13C solvent: ACETONE-D6 metadata: [object Object] dimension: 2 isComplex: true probeName: 2774 experiment: 2d sampleName: MC11c-acetone temperature: 291.54999999999995 spectrumSize: 2048,256 baseFrequency: 399.79256015247455,100.54933803934405 digitalFilter: 19.64665222167969 fieldStrength: 9.389766 numberOfScans: 20 pulseSequence: hmbc.jxp spectralWidth: 19.590867808203424,250.19477286470737 numberOfPoints: 2048 relaxationTime: 1.5 acquisitionMode: 0 acquisitionTime: 0.26148863999999994,0.01017856 frequencyOffset: 2933.0076814604786,10054.933803934406 originFrequency: 399.78219837825003,100.52530332516541 pulseStrength90: 37878.78787878788 spectralWidthClipped: 15672288.043607859 date: {\"year\":2022,\"month\":2,\"day\":6} isFt: false name: Caledonixanthone P_HMQC-1-1.jdf type: NMR SPECTRUM isFid: true title: title: MC11c-acetone / comment: gradient enhanced HMQC with X-decoupling / author:delta / site: author: delta nucleus: 1H,13C solvent: ACETONE-D6 metadata: [object Object] dimension: 2 isComplex: true probeName: 2774 experiment: 2d sampleName: MC11c-acetone temperature: 291.75 spectrumSize: 1024,256 baseFrequency: 399.79256015247455,100.54933803934405 digitalFilter: 19.63705444335938 fieldStrength: 9.389766 numberOfScans: 20 pulseSequence: hmqc.jxp spectralWidth: 19.590867808203424,170.1050644511075 numberOfPoints: 1024 relaxationTime: 1.5 acquisitionMode: 0 acquisitionTime: 0.13074431999999997,0.014970879999999999 frequencyOffset: 2933.0076814604786,8546.693733344242 originFrequency: 399.78219837825003,100.52530332516541 pulseStrength90: 37878.78787878788 spectralWidthClipped: 15672288.043607859 date: {\"year\":2021,\"month\":4,\"day\":21} isFt: false name: Caledonixanthone P_Proton-2-1.jdf type: NMR SPECTRUM isFid: true title: title: MC.F12bis.prep2.Sf9 / comment: single_pulse / author:delta / site: author: delta nucleus: 1H solvent: ACETONE-D6 metadata: [object Object] dimension: 1 isComplex: true probeName: 2774 experiment: 1d sampleName: MC.F12bis.prep2. temperature: 293.04999999999995 baseFrequency: 399.79256015247455 digitalFilter: 19.65565013885498 fieldStrength: 9.389766 numberOfScans: 16 pulseSequence: proton.jxp spectralWidth: 23.75913755462969 numberOfPoints: 32768 relaxationTime: 1 acquisitionMode: 0 acquisitionTime: 3.44981504 frequencyOffset: 3598.1330413722703 originFrequency: 399.78219837825003 pulseStrength90: 37878.78787878788 spectralWidthClipped: 19006817.414588254" ; dct:identifier "https://doi.org/10.57992/nmrxiv.p64.s454.d2361" ; 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 "Caledonixanthone P.2d" ; adms:identifier [ a adms:Identifier ; dct:description "The DOI of this dataset" ; dct:title "DOI" ; skos:notation "10.57992/nmrxiv.p64.s454.d2361" ], [ 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-d2361" ] ; dcat:landingPage ; prov:wasGeneratedBy . obi:0000070 a schema1:DefinedTerm ; schema1:name "2d" . a ; dct:title "Attribution-ShareAlike 4.0 International" . a obi:0000070, prov:Activity ; dct:description "The kind of activity/process used to generate the dataset" ; prov:used . a chebi:23367 ; sio:000008 [ a cheminf:000018 ; dct:title "assigned SMILES" ; prov:value "CC(C)=CCC1=C2C(=O)C3=C(C=CC=C3O)OC2=C(O)C(O)=C1" ], [ a cheminf:000059 ; dct:title "assigned InChIKey" ; prov:value "VWBFRYKCKPESHB-UHFFFAOYSA-N" ], [ a cheminf:000113 ; dct:title "assigned InChI" ; prov:value "InChI=1S/C18H16O5/c1-9(2)6-7-10-8-12(20)16(21)18-14(10)17(22)15-11(19)4-3-5-13(15)23-18/h3-6,8,19-21H,7H2,1-2H3" ] . a foaf:Document . a sio:001378 ; bfo:0000051 ; dct:title "evaluated sample" .