@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.p92.s826.d4085> 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 -keenamide A stereoisomer D-Leu L-Tzn date: 2021-02-24T10:34:41.000Z isFt: true name: keenamide A stereoisomer D-Leu L-Tzn/0 phc0: -262.8202 phc1: 843.15 type: NMR Spectrum DECIM: 469.333333333333 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 48.381022089093 isComplex: true probeName: Z123730_0006 (PA TXI 700S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 67.9932556152344 temperature: 293.2004 spectrumSize: 32768 baseFrequency: 176.1408651 fieldStrength: 16.448855244371696 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 241.905110445465 numberOfPoints: 6 relaxationTime: 2 acquisitionTime: 0.00005866666666666664 frequencyOffset: 17614.086999998333 originFrequency: 176.158479187 pulseStrength90: 22727.272727272728 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 3 date: 2021-02-24T08:29:14.000Z isFt: true name: keenamide A stereoisomer D-Leu L-Tzn/0 phc0: 152.612 phc1: 3.112526 type: NMR Spectrum DECIM: 1904 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.99903880194294 isComplex: true probeName: Z123730_0006 (PA TXI 700S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 76 temperature: 293.2 spectrumSize: 65536 baseFrequency: 700.5 fieldStrength: 16.452359895070167 numberOfScans: 4 pulseSequence: zg30 spectralWidth: 14.9951940097147 numberOfPoints: 6 relaxationTime: 5 acquisitionTime: 0.00023799999999999996 frequencyOffset: 4553.249999958098 originFrequency: 700.50455325 pulseStrength90: 28636.8843069874 experimentNumber: 0 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 3 date: 2021-02-24T08:30:30.000Z isFt: true name: keenamide A stereoisomer D-Leu L-Tzn/0 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 1904 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 7.49759700485735 isComplex: false probeName: Z123730_0006 (PA TXI 700S3 H-C/N-D-05 Z) experiment: cosy groupDelay: 67.9868774414062 temperature: 293.2152 spectrumSize: 4096,1024 baseFrequency: 700.5,700.5 fieldStrength: 16.452359895070167 numberOfScans: 4 pulseSequence: cosygpmfppqf spectralWidth: 14.9951940097147,14.9951940097147 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00009519999999999998 frequencyOffset: 4553.249999958098,4553.249999958098 originFrequency: 700.50455325,700.50455325 pulseStrength90: 28636.8843069874 experimentNumber: 0 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2021-02-24T09:14:26.000Z isFt: true name: keenamide A stereoisomer D-Leu L-Tzn/0 phc0: 45.84078,0 phc1: -11.3,0 type: NMR Spectrum DECIM: 1904 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.99903880194294 isComplex: false probeName: Z123730_0006 (PA TXI 700S3 H-C/N-D-05 Z) experiment: hsqc groupDelay: 67.9868774414062 temperature: 293.6734 spectrumSize: 2048,512 baseFrequency: 700.5,176.1408651 fieldStrength: 16.452359895070167 numberOfScans: 8 pulseSequence: hsqcedetgpsp.3 spectralWidth: 14.9951940097147,199.88403492263 numberOfPoints: 6 relaxationTime: 1 acquisitionTime: 0.00023799999999999996 frequencyOffset: 4553.249999958098,17614.086509979643 originFrequency: 700.50455325,176.15847918651 pulseStrength90: 28636.8843069874 experimentNumber: 0 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,1024 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p92.s826.d4085" ;
    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.p92.s826.d4085#sample> ;
    dct:title "keenamide A stereoisomer D-Leu L-Tzn[1H 500 MHz]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p92.s826.d4085#measurement> .

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

chmo:0000593 a schema1:DefinedTerm ;
    schema1:name "1H nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p92.s826.d4085#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p92.s826.d4085#sample> .

<https://doi.org/10.57992/nmrxiv.p92.s826.d4085#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "FCGBWFPYRURNCX-AVDPZCKDSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C=CC(C)(C)OC[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CSC(=N2)[C@@H](CC(C)C)NC1=O" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C30H48N6O6S/c1-8-18(5)24-29(41)36-12-10-11-22(36)27(40)31-14-23(37)32-20(15-42-30(6,7)9-2)25(38)33-19(13-17(3)4)28-34-21(16-43-28)26(39)35-24/h9,17-22,24H,2,8,10-16H2,1,3-7H3,(H,31,40)(H,32,37)(H,33,38)(H,35,39)/t18-,19+,20-,21-,22-,24-/m0/s1" ] .

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

<https://doi.org/10.57992/nmrxiv.p92.s826.d4085#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p92.s826.d4085#sample_compound> ;
    dct:title "evaluated sample" .