@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix chemdcatap: <https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix chmo: <http://purl.obolibrary.org/obo/CHMO_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@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_> .

<https://doi.org/10.57992/nmrxiv.p113.s1166.d5100> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -kasichelinC date: 2021-09-07T18:26:18.000Z isFt: true name: kasichelinC/10 phc0: -7.695903 phc1: 29.67813 type: NMR Spectrum DECIM: 1418.66666666667 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3  H&F-C/N-D-05 Z) experiment: 1d groupDelay: 67.9896545410156 temperature: 297.9984 spectrumSize: 65536 baseFrequency: 700.29 fieldStrength: 16.447427710090917 numberOfScans: 32 pulseSequence: zg30 spectralWidth: 20.1311703835228 numberOfPoints: 1 relaxationTime: 5 acquisitionTime: 0 frequencyOffset: 4324.289999999564 originFrequency: 700.29432429 pulseStrength90: 31250 experimentNumber: 10 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-09-07T19:38:03.000Z isFt: true name: kasichelinC/11 phc0: -19.69522 phc1: 16.73573 type: NMR Spectrum DECIM: 469.333333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3  H&F-C/N-D-05 Z) experiment: 1d groupDelay: 67.9932556152344 temperature: 297.9996 spectrumSize: 131072 baseFrequency: 176.088060558 fieldStrength: 16.44392411003719 numberOfScans: 800 pulseSequence: udeft spectralWidth: 241.97765192609 numberOfPoints: 1 relaxationTime: 4 acquisitionTime: 0 frequencyOffset: 17608.805999998367 originFrequency: 176.105669364 pulseStrength90: 20833.333333333332 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2021-09-07T19:39:41.000Z isFt: true name: kasichelinC/12 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2760 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3  H&F-C/N-D-05 Z) experiment: cosy groupDelay: 67.9857330322266 temperature: 298.0002 spectrumSize: 1024,1024 baseFrequency: 700.29,700.29 fieldStrength: 16.447427710090917 numberOfScans: 8 pulseSequence: cosygpppqf spectralWidth: 10.3476367965976,10.3476367965976 numberOfPoints: 1 relaxationTime: 1.971328 acquisitionTime: 0 frequencyOffset: 2922.3392200492526,2922.3392200492526 originFrequency: 700.29292233922,700.29292233922 pulseStrength90: 31250 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,256 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-09-07T20:18:01.000Z isFt: true name: kasichelinC/13 phc0: 84.69857,180 phc1: 27.88001,-180 type: NMR Spectrum DECIM: 2760 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3  H&F-C/N-D-05 Z) experiment: tocsy groupDelay: 67.9857330322266 temperature: 298.0012 spectrumSize: 1024,1024 baseFrequency: 700.29,700.29 fieldStrength: 16.447427710090917 numberOfScans: 8 pulseSequence: mlevphpp spectralWidth: 10.3476367965976,10.3476367965976 numberOfPoints: 1 relaxationTime: 2.004915 acquisitionTime: 0 frequencyOffset: 2922.3392200492526,2922.3392200492526 originFrequency: 700.29292233922,700.29292233922 pulseStrength90: 31250 experimentNumber: 13 acquisitionScheme: States-TPPI linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2021-09-07T21:37:54.000Z isFt: false name: kasichelinC/14 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 1792 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: true probeName: Z135421_0007 (CPP TCI 700S3  H&F-C/N-D-05 Z) experiment: hsqc groupDelay: 67.9841766357422 temperature: 298.0014 spectrumSize: 1024,1024 baseFrequency: 700.29,176.088060558 digitalFilter: 67.9841766357422 fieldStrength: 16.447427710090917 numberOfScans: 4 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 15.9372000608372,165.074152561057 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3291.363000016645,13206.604999993488 originFrequency: 700.293291363,176.101267163 pulseStrength90: 31250 experimentNumber: 14 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2021-09-07T22:15:41.000Z isFt: true name: kasichelinC/15 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2760 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: null isComplex: false probeName: Z135421_0007 (CPP TCI 700S3  H&F-C/N-D-05 Z) experiment: hmbc groupDelay: 67.9857330322266 temperature: 297.9995 spectrumSize: 2048,1024 baseFrequency: 700.29,176.088060558 fieldStrength: 16.447427710090917 numberOfScans: 8 pulseSequence: hmbcgplpndqf spectralWidth: 10.3476367965976,220.093368160491 numberOfPoints: 1 relaxationTime: 1.471328 acquisitionTime: 0 frequencyOffset: 2922.3392200492526,17608.805999998367 originFrequency: 700.29292233922,176.105669364 pulseStrength90: 31250 experimentNumber: 15 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,3" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p113.s1166.d5100" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p113.s1166.d5100#sample> ;
    dct:title "kasichelinC[15]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p113.s1166.d5100#measurement> .

<http://id.loc.gov/vocabulary/iso639-1/en> a dct:LinguisticSystem .

chmo:0000601 a schema1:DefinedTerm ;
    schema1:name "heteronuclear multiple bond coherence" .

<https://doi.org/10.57992/nmrxiv.p113.s1166.d5100#measurement> a chmo:0000601,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p113.s1166.d5100#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/136026305> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=C([C@H](C)CNC([C@H]1N=C(C2=CC=CC(O)=C2O)O[C@@H]1C)=O)N[C@@H]3CCCN(O)C3=O" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C20H26N4O7/c1-10(17(27)22-13-6-4-8-24(30)20(13)29)9-21-18(28)15-11(2)31-19(23-15)12-5-3-7-14(25)16(12)26/h3,5,7,10-11,13,15,25-26,30H,4,6,8-9H2,1-2H3,(H,21,28)(H,22,27)/t10-,11-,13-,15+/m1/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "GAOMIEWINGYRQD-CVMIBZJCSA-N" ] .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
    foaf:name "nmrXiv" .

<https://doi.org/10.57992/nmrxiv.p113.s1166.d5100#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/136026305> ;
    dct:title "evaluated sample" .