@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.p112.s1159.d5030> 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 -PCC9009_Schanbacher_ACBderivatives_cmp_2_Dihydroanhydrocyanobacterin D date: 2024-01-05T08:46:05.000Z isFt: true name: PCC9009_Schanbacher_ACBderivatives_cmp_2_Dihydroanhydrocyanobacterin D/1 phc0: -119.8318 phc1: 40.09481 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 4.165744509690375 isComplex: true probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: null groupDelay: 67.9862518310547 temperature: 299.9981 spectrumSize: 131072 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: MF1h spectralWidth: 16.6629780387615 numberOfPoints: 5 relaxationTime: 1.3 acquisitionTime: 0.00019999999999999982 frequencyOffset: 2820.000000042455 originFrequency: 600.13282 pulseStrength90: 40192.92604501608 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 4 date: 2024-01-05T08:48:32.000Z isFt: true name: PCC9009_Schanbacher_ACBderivatives_cmp_2_Dihydroanhydrocyanobacterin D/2 phc0: -12.91297,0 phc1: -7.200001,0 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,true solvent: DMSO dimension: 2 increment: 16.6629780387615 isComplex: false probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: hmqc groupDelay: 67.9862518310547 temperature: 299.9997 spectrumSize: 4096,2048 baseFrequency: 600.13,150.902809 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: MFhmqceaf2 spectralWidth: 16.6629780387615,161.615899907689 numberOfPoints: 2 relaxationTime: 1 acquisitionTime: 0.000049999999999999955 frequencyOffset: 2820.000000042455,12069.526000004771 originFrequency: 600.13282,150.914878526 pulseStrength90: 40192.92604501608 experimentNumber: 2 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2024-01-05T10:03:20.000Z isFt: true name: PCC9009_Schanbacher_ACBderivatives_cmp_2_Dihydroanhydrocyanobacterin D/3 phc0: 67.76595,-174.5183 phc1: 6.836792,0 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 8.33148901938075 isComplex: false probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: hsqc groupDelay: 67.9862518310547 temperature: 299.9987 spectrumSize: 4096,2048 baseFrequency: 600.13,150.902809 fieldStrength: 14.095010340939984 numberOfScans: 32 pulseSequence: MFhsqceaf2 spectralWidth: 16.6629780387615,161.615899907689 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00009999999999999991 frequencyOffset: 2820.000000042455,12069.526000004771 originFrequency: 600.13282,150.914878526 pulseStrength90: 40192.92604501608 experimentNumber: 3 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2024-01-05T13:44:34.000Z isFt: true name: PCC9009_Schanbacher_ACBderivatives_cmp_2_Dihydroanhydrocyanobacterin D/4 phc0: -120.3748,-91.60903 phc1: 33.12416,-180 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: 8.33148901938075 isComplex: false probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: cosy groupDelay: 67.9862518310547 temperature: 300.0004 spectrumSize: 4096,2048 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: MFclipcosy spectralWidth: 16.6629780387615,13.8858150323012 numberOfPoints: 3 relaxationTime: 1.3 acquisitionTime: 0.00009999999999999991 frequencyOffset: 2820.000000042455,2820.000000042455 originFrequency: 600.13282,600.13282 pulseStrength90: 40192.92604501608 experimentNumber: 4 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2024-01-05T17:28:39.000Z isFt: true name: PCC9009_Schanbacher_ACBderivatives_cmp_2_Dihydroanhydrocyanobacterin D/5 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 8.33148901938075 isComplex: false probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: hmbc groupDelay: 67.9862518310547 temperature: 300.0014 spectrumSize: 4096,2048 baseFrequency: 600.13,150.902809 fieldStrength: 14.095010340939984 numberOfScans: 64 pulseSequence: MFhmbceaf2 spectralWidth: 16.6629780387615,207.066694592838 numberOfPoints: 3 relaxationTime: 1.3 acquisitionTime: 0.00009999999999999991 frequencyOffset: 2820.000000042455,14749.526000002788 originFrequency: 600.13282,150.917558526 pulseStrength90: 40192.92604501608 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2024-01-06T22:33:49.000Z isFt: true name: PCC9009_Schanbacher_ACBderivatives_cmp_2_Dihydroanhydrocyanobacterin D/6 phc0: -303.208,0 phc1: 33.6,0 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: 1.5148161853419546 isComplex: false probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: noesy groupDelay: 67.9862518310547 temperature: 300.0004 spectrumSize: 4096,2048 baseFrequency: 600.13,600.13 fieldStrength: 14.095010340939984 numberOfScans: 128 pulseSequence: MFnoesy spectralWidth: 16.6629780387615,13.8858150323012 numberOfPoints: 12 relaxationTime: 1.3 acquisitionTime: 0.0005499999999999995 frequencyOffset: 2820.000000042455,2820.000000042455 originFrequency: 600.13282,600.13282 pulseStrength90: 40192.92604501608 experimentNumber: 6 acquisitionScheme: States-TPPI linearPredictionBin: 0,512 lpNumberOfCoefficients: 0,8 windowMultiplicationMode: 4,4 date: 2024-01-08T04:15:17.000Z isFt: true name: PCC9009_Schanbacher_ACBderivatives_cmp_2_Dihydroanhydrocyanobacterin D/7 phc0: -14.55782,3.508594 phc1: -1.900001,2.2 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 5.554326012920501 isComplex: false probeName: Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) experiment: hsqc groupDelay: 67.9862518310547 temperature: 300.0005 spectrumSize: 4096,2048 baseFrequency: 600.13,150.902809 fieldStrength: 14.095010340939984 numberOfScans: 32 pulseSequence: MFhsqceaclipcosyf2 spectralWidth: 16.6629780387615,161.615899907689 numberOfPoints: 4 relaxationTime: 1 acquisitionTime: 0.00014999999999999985 frequencyOffset: 2820.000000042455,12069.526000004771 originFrequency: 600.13282,150.914878526 pulseStrength90: 40192.92604501608 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p112.s1159.d5030" ;
    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.p112.s1159.d5030#sample> ;
    dct:title "PCC9009_Schanbacher_ACBderivatives_cmp_2_Dihydroanhydrocyanobacterin D[2]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p112.s1159.d5030#measurement> .

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

chmo:0000603 a schema1:DefinedTerm ;
    schema1:name "heteronuclear multiple quantum coherence" .

<https://doi.org/10.57992/nmrxiv.p112.s1159.d5030#measurement> a chmo:0000603,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p112.s1159.d5030#sample> .

<https://doi.org/10.57992/nmrxiv.p112.s1159.d5030#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "SKNAZPONZBQOOU-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C23H25ClO4/c1-14(2)22-18(11-16-7-10-20(27-4)19(24)12-16)23(25)28-21(22)13-15-5-8-17(26-3)9-6-15/h5-10,12,14,21H,11,13H2,1-4H3" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "COC1=CC=C(CC2OC(=O)C(CC3=CC=C(OC)C(Cl)=C3)=C2C(C)C)C=C1" ] .

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

<https://doi.org/10.57992/nmrxiv.p112.s1159.d5030#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p112.s1159.d5030#sample_compound> ;
    dct:title "evaluated sample" .