@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.p18.s87.d513> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "Epifadin-sample dissolved in DMSO-d6 and recorded at 303 K at 700 MHz (1H), 175 MHz (13C)" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p18.s87.d513" ;
    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.p18.s87.d513#sample> ;
    dct:title "Epifadin at 303 K in DMSO batch 2[13]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p18.s87.d513#measurement> .

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

chmo:0000604 a schema1:DefinedTerm ;
    schema1:name "heteronuclear single quantum coherence" .

<https://doi.org/10.57992/nmrxiv.p18.s87.d513#measurement> a chmo:0000604,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p18.s87.d513#sample> .

<https://doi.org/10.57992/nmrxiv.p18.s87.d513#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C/C(=C\\C=C\\C=C\\C=C\\CC/C=C/C(=O)C1C(=O)NC(CC(=O)O)C1=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC1=CC=CC=C1" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C46H53N7O12/c1-28(17-11-7-5-3-2-4-6-8-16-22-36(54)40-41(60)32(26-38(56)57)50-46(40)65)49-43(62)34(25-37(48)55)52-45(64)35(27-39(58)59)53-44(63)33(24-30-20-14-10-15-21-30)51-42(61)31(47)23-29-18-12-9-13-19-29/h2-5,7,9-22,31-35,40H,6,8,23-27,47H2,1H3,(H2,48,55)(H,49,62)(H,50,65)(H,51,61)(H,52,64)(H,53,63)(H,56,57)(H,58,59)/b4-2+,5-3+,11-7+,22-16+,28-17+/t31-,32?,33+,34+,35-,40?/m0/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "MQVOIJBOGSAGIE-KQJIHHCBSA-N" ] .

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

<https://doi.org/10.57992/nmrxiv.p18.s87.d513#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p18.s87.d513#sample_compound> ;
    dct:title "evaluated sample" .