@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix chmo: <http://purl.obolibrary.org/obo/CHMO_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dcatap: <http://data.europa.eu/r5r/> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.57992/nmrxiv.p61.s424.d2136> a dcat:Dataset ;
    dcatap:applicableLegislation <https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode> ;
    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 -Compound 4 date: 2022-01-26T04:49:30.000Z isFt: false name: Compound 4/0 phc0: 341.6466 phc1: -209.46 type: NMR FID DECIM: 640 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000015999999999999962 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9837951660156 temperature: 297.9999 spectrumSize: 65536 baseFrequency: 125.805565 digitalFilter: 67.9837951660156 fieldStrength: 11.74831023139669 numberOfScans: 4096 pulseSequence: zgpg30 spectralWidth: 248.371373848336 numberOfPoints: 49 relaxationTime: 2.38 acquisitionTime: 0.0007679999999999982 frequencyOffset: 14087.707168997098 originFrequency: 125.819652707169 pulseStrength90: 29411.764705882353 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-01-26T04:49:30.000Z isFt: true name: Compound 4/0 phc0: 341.6466 phc1: -209.46 type: NMR Spectrum DECIM: 640 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 5.174403621840333 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9837951660156 temperature: 297.9999 spectrumSize: 65536 baseFrequency: 125.805565 fieldStrength: 11.74831023139669 numberOfScans: 4096 pulseSequence: zgpg30 spectralWidth: 248.371373848336 numberOfPoints: 49 relaxationTime: 2.38 acquisitionTime: 0.0007679999999999982 frequencyOffset: 14087.707168997098 originFrequency: 125.819652707169 pulseStrength90: 29411.764705882353 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-01-25T23:37:33.000Z isFt: false name: Compound 4/0 phc0: 56.58904 phc1: -37.86937 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00005000000000000009 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298 spectrumSize: 32768 baseFrequency: 500.32 digitalFilter: 67.9862518310547 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 20 relaxationTime: 2 acquisitionTime: 0.0009500000000000017 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-01-25T23:37:33.000Z isFt: true name: Compound 4/0 phc0: 56.58904 phc1: -37.86937 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 1.0519518298164212 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298 spectrumSize: 32768 baseFrequency: 500.32 fieldStrength: 11.750813280087803 numberOfScans: 24 pulseSequence: zg30 spectralWidth: 19.987084766512 numberOfPoints: 20 relaxationTime: 2 acquisitionTime: 0.0009500000000000017 frequencyOffset: 3089.4760000137467 originFrequency: 500.323089476 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-01-26T08:22:24.000Z isFt: false name: Compound 4/0 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 4816 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00012039999999999999 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.9853668212891 temperature: 297.9984 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 digitalFilter: 67.9853668212891 fieldStrength: 11.750813280087803 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 8.30030533008116,8.30030533008116 numberOfPoints: 7 relaxationTime: 2 acquisitionTime: 0.0007223999999999999 frequencyOffset: 1826.139999991483,1826.139999991483 originFrequency: 500.32182614,500.32182614 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-01-26T08:22:24.000Z isFt: true name: Compound 4/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 4816 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.3833842216801935 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.9853668212891 temperature: 297.9984 spectrumSize: 2048,2048 baseFrequency: 500.32,500.32 fieldStrength: 11.750813280087803 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 8.30030533008116,8.30030533008116 numberOfPoints: 7 relaxationTime: 2 acquisitionTime: 0.0007223999999999999 frequencyOffset: 1826.139999991483,1826.139999991483 originFrequency: 500.32182614,500.32182614 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2022-01-26T07:12:40.000Z isFt: false name: Compound 4/0 phc0: 26.9455 phc1: -248.4044 type: NMR FID DECIM: 640 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000015999999999999996 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9837951660156 temperature: 297.9987 spectrumSize: 65536 baseFrequency: 125.805565 digitalFilter: 67.9837951660156 fieldStrength: 11.74831023139669 numberOfScans: 2048 pulseSequence: deptsp135 spectralWidth: 248.371373842747 numberOfPoints: 34 relaxationTime: 2 acquisitionTime: 0.0005279999999999998 frequencyOffset: 14087.709999998311 originFrequency: 125.81965271 pulseStrength90: 29411.764705882353 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-01-26T07:12:40.000Z isFt: true name: Compound 4/0 phc0: 26.9455 phc1: -248.4044 type: NMR Spectrum DECIM: 640 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 7.526405267962031 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9837951660156 temperature: 297.9987 spectrumSize: 65536 baseFrequency: 125.805565 fieldStrength: 11.74831023139669 numberOfScans: 2048 pulseSequence: deptsp135 spectralWidth: 248.371373842747 numberOfPoints: 34 relaxationTime: 2 acquisitionTime: 0.0005279999999999998 frequencyOffset: 14087.709999998311 originFrequency: 125.81965271 pulseStrength90: 29411.764705882353 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2022-01-26T11:24:57.000Z isFt: false name: Compound 4/0 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 4816 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00012039999999999999 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.9853668212891 temperature: 297.9988 spectrumSize: 2048,4096 baseFrequency: 500.32,125.805565 digitalFilter: 67.9853668212891 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: hmbcetgpl2nd spectralWidth: 8.30030533008116,186.575452452105 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.0009631999999999999 frequencyOffset: 1826.139999991483,10441.849999992315 originFrequency: 500.32182614,125.81600685 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,2048 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2022-01-26T11:24:57.000Z isFt: true name: Compound 4/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 4816 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.037538166260145 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.9853668212891 temperature: 297.9988 spectrumSize: 2048,4096 baseFrequency: 500.32,125.805565 fieldStrength: 11.750813280087803 numberOfScans: 4 pulseSequence: hmbcetgpl2nd spectralWidth: 8.30030533008116,186.575452452105 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.0009631999999999999 frequencyOffset: 1826.139999991483,10441.849999992315 originFrequency: 500.32182614,125.81600685 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,2048 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4 date: 2022-01-26T10:05:25.000Z isFt: false name: Compound 4/0 phc0: 123.53,0 phc1: 0.8375,0 type: NMR FID DECIM: 4816 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00012039999999999999 isComplex: true probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 67.9853668212891 temperature: 298.0009 spectrumSize: 2048,4096 baseFrequency: 500.32,125.805565 digitalFilter: 67.9853668212891 fieldStrength: 11.750813280087803 numberOfScans: 2 pulseSequence: hsqcetgpsisp2.2 spectralWidth: 8.30030533008116,166.978693256955 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.0014447999999999998 frequencyOffset: 1826.139999991483,9309.64999999162 originFrequency: 500.32182614,125.81487465 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,2048 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2022-01-26T10:05:25.000Z isFt: true name: Compound 4/0 phc0: 123.53,0 phc1: 0.8375,0 type: NMR Spectrum DECIM: 4816 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.6916921108400967 isComplex: false probeName: Z125869_0056 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 67.9853668212891 temperature: 298.0009 spectrumSize: 2048,4096 baseFrequency: 500.32,125.805565 fieldStrength: 11.750813280087803 numberOfScans: 2 pulseSequence: hsqcetgpsisp2.2 spectralWidth: 8.30030533008116,166.978693256955 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.0014447999999999998 frequencyOffset: 1826.139999991483,9309.64999999162 originFrequency: 500.32182614,125.81487465 pulseStrength90: 25000 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,2048 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p61.s424.d2136" ;
    dct:issued "2024-04-22"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-12-17"^^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 <https://doi.org/10.57992/nmrxiv.p61.s424.d2136#sample> ;
    dct:title "Compound 4[COSY]" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p61.s424.d2136" ],
        [ 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-d2136" ] ;
    dcat:landingPage <https://nmrxiv.org/D2136> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p61.s424.d2136#measurement> .

chmo:0000599 a schema1:DefinedTerm ;
    schema1:name "correlation spectroscopy" .

<https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode> a <http://data.europa.eu/eli/ontology#LegalResource> ;
    dct:title "Attribution-NonCommercial-NoDerivs 4.0 International " .

<https://doi.org/10.57992/nmrxiv.p61.s424.d2136#measurement> a chmo:0000599,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p61.s424.d2136#sample> .

<https://doi.org/10.57992/nmrxiv.p61.s424.d2136#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C41H65NO5Si2/c1-28-19-17-23-32(46-48(10,11)39(4,5)6)25-26-35(43)45-41-33(24-18-20-28)37(47-49(12,13)40(7,8)9)30(3)29(2)36(41)34(42-38(41)44)27-31-21-15-14-16-22-31/h14-16,18,21-22,24-26,28-29,32-34,36-37H,3,17,19-20,23,27H2,1-2,4-13H3,(H,42,44)/b24-18+,26-25+/t28-,29-,32-,33+,34+,36+,37-,41-/m1/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "GNABLGMVEATFIO-WRHYBGTASA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O[Si](C)(C)C(C)(C)C" ] .

<https://nmrxiv.org/D2136> a foaf:Document .

<https://doi.org/10.57992/nmrxiv.p61.s424.d2136#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p61.s424.d2136#sample_compound> ;
    dct:title "evaluated sample" .