@prefix adms: . @prefix bfo: . @prefix chebi: . @prefix cheminf: . @prefix chmo: . @prefix dcat: . @prefix dcatap: . @prefix dct: . @prefix foaf: . @prefix ns1: . @prefix prov: . @prefix schema1: . @prefix sio: . @prefix skos: . @prefix xsd: . a dcat:Dataset ; dcatap:applicableLegislation ; dct:conformsTo [ a dct:Standard ; dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ; dct:title "ChemDCAT-AP" ] ; dct:creator [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Frank O" ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Soboleva A" ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Frolov A" ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Bathe U" ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Tissier A." ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Schmidt J" ], [ a foaf:Agent ; dct:type [ a skos:Concept ; dct:description "A human being." ; skos:prefLabel "person" ] ; foaf:name "Dawid C" ] ; dct:description "This dataset contains NMR spectra obtained for the sample -20220520-VS-Diterpen 3
date: 2022-05-21T03:43:13.000Z
isFt: false
name: 20220520-VS-Diterpen 3/10
phc0: -77.69504
phc1: 1.987961
type: NMR FID
DECIM: 2440
aqMod: 3
isFid: true
tdOff: 0
title: Parameter file, TopSpin 4.0.6
DSPFVS: 21
nucleus: 1H
reverse: false
solvent: MeOD
dimension: 1
increment: 0.000061000000000000175
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: proton
groupDelay: 76
temperature: 300.15
spectrumSize: 65536
baseFrequency: 600.36
digitalFilter: 76
fieldStrength: 14.100412257822022
numberOfScans: 16
pulseSequence: zg30
spectralWidth: 13.6529284619938
numberOfPoints: 12
relaxationTime: 2
acquisitionTime: 0.0006710000000000019
frequencyOffset: 3602.1600000140097
originFrequency: 600.36360216
pulseStrength90: 31250
experimentNumber: 10
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 1
date: 2022-05-21T05:47:23.000Z
isFt: false
name: 20220520-VS-Diterpen 3/11
phc0: 0,0
phc1: 0,0
type: NMR FID
DECIM: 2440
aqMod: 3
isFid: true
tdOff: 0,0
title: Parameter file, TopSpin 4.1.1
DSPFVS: 20
nucleus: 1H,1H
reverse: false,false
solvent: MeOD
dimension: 2
increment: 0.00006100000000000017
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: cosy
groupDelay: 68
temperature: 300.1529
spectrumSize: 2048,2048
baseFrequency: 600.36,600.36
digitalFilter: 68
fieldStrength: 14.100412257822022
numberOfScans: 16
pulseSequence: cosygpmfppqf
spectralWidth: 13.6529284619938,14.0000611251376
numberOfPoints: 6
relaxationTime: 1.5
acquisitionTime: 0.00030500000000000085
frequencyOffset: 3602.1600000140097,3602.1600000140097
originFrequency: 600.36360216,600.36360216
pulseStrength90: 31250
experimentNumber: 11
acquisitionScheme: notPhaseSensitive
linearPredictionBin: 0,512
lpNumberOfCoefficients: 0,100
windowMultiplicationMode: 4,4
date: 2022-05-21T05:47:23.000Z
isFt: true
name: 20220520-VS-Diterpen 3/11
phc0: 0,0
phc1: 0,0
type: NMR Spectrum
DECIM: 2440
aqMod: 3
isFid: false
tdOff: 0,0
title: Parameter file, TopSpin 4.1.1
DSPFVS: 20
nucleus: 1H,1H
reverse: false,false
solvent: MeOD
dimension: 2
increment: 2.73058569239876
isComplex: false
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: cosy
groupDelay: 68
temperature: 300.1529
spectrumSize: 2048,2048
baseFrequency: 600.36,600.36
fieldStrength: 14.100412257822022
numberOfScans: 16
pulseSequence: cosygpmfppqf
spectralWidth: 13.6529284619938,14.0000611251376
numberOfPoints: 6
relaxationTime: 1.5
acquisitionTime: 0.00030500000000000085
frequencyOffset: 3602.1600000140097,3602.1600000140097
originFrequency: 600.36360216,600.36360216
pulseStrength90: 31250
experimentNumber: 11
acquisitionScheme: notPhaseSensitive
linearPredictionBin: 0,512
lpNumberOfCoefficients: 0,100
windowMultiplicationMode: 4,4
date: 2022-05-21T11:32:11.000Z
isFt: false
name: 20220520-VS-Diterpen 3/12
phc0: -180.0876
phc1: 0
type: NMR FID
DECIM: 2440
aqMod: 3
isFid: true
tdOff: 0
title: Parameter file, TopSpin 4.1.1
DSPFVS: 20
nucleus: 13C
reverse: false
solvent: MeOD
dimension: 1
increment: 0.000061000000000000175
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: hsqc
groupDelay: 68
temperature: 300.1501
spectrumSize: 2048
baseFrequency: 600.36,150.960642072
digitalFilter: 68
fieldStrength: 56.06441599400882
numberOfScans: 24
pulseSequence: hsqcedetgpsp.3
spectralWidth: 13.6529284619938,210.020279633083
numberOfPoints: 411
relaxationTime: 2
acquisitionTime: 0.02501000000000007
frequencyOffset: 3602.1600000140097,16605.670627996005
originFrequency: 600.36360216,150.977247742628
pulseStrength90: 31250
experimentNumber: 12
acquisitionScheme: Echo-antiecho
linearPredictionBin: 800
lpNumberOfCoefficients: 32
windowMultiplicationMode: 4
date: 2022-05-21T19:53:24.000Z
isFt: false
name: 20220520-VS-Diterpen 3/13
phc0: 10.4313,3.93194
phc1: 25.82417,0
type: NMR FID
DECIM: 2440
aqMod: 3
isFid: true
tdOff: 0,0
title: Parameter file, TopSpin 4.0.6
DSPFVS: 20
nucleus: 1H,13C
reverse: false,false
solvent: MeOD
dimension: 2
increment: 0.00006100000000000017
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: hmbc
groupDelay: 68
temperature: 300.149
spectrumSize: 2048,2048
baseFrequency: 600.36,150.960642072
digitalFilter: 68
fieldStrength: 14.100412257822022
numberOfScans: 32
pulseSequence: hmbcetgpl3nd
spectralWidth: 13.6529284619938,219.958972815675
numberOfPoints: 11
relaxationTime: 1.5
acquisitionTime: 0.0006100000000000017
frequencyOffset: 3602.1600000140097,16605.67099997934
originFrequency: 600.36360216,150.977247743
pulseStrength90: 31250
experimentNumber: 13
acquisitionScheme: Echo-antiecho
linearPredictionBin: 0,1024
lpNumberOfCoefficients: 0,32
windowMultiplicationMode: 3,4
date: 2022-05-22T02:52:22.000Z
isFt: false
name: 20220520-VS-Diterpen 3/14
phc0: -51.13125
phc1: 0
type: NMR FID
DECIM: 612
aqMod: 3
isFid: true
tdOff: 0
title: Parameter file, TopSpin 4.0.9
DSPFVS: 21
nucleus: 13C
reverse: false
solvent: MeOD
dimension: 1
increment: 0.000015300000000000026
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: c13
groupDelay: 76
temperature: 300.1509
spectrumSize: 65536
baseFrequency: 150.960642072
digitalFilter: 76
fieldStrength: 14.097408614576718
numberOfScans: 8192
pulseSequence: zgpg30
spectralWidth: 216.454724474782
numberOfPoints: 19
relaxationTime: 2
acquisitionTime: 0.00027540000000000046
frequencyOffset: 16605.670627996005
originFrequency: 150.977247742628
pulseStrength90: 20833.333333333332
experimentNumber: 14
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 0
date: 2022-05-24T09:50:11.000Z
isFt: false
name: 20220520-VS-Diterpen 3/15
phc0: -69.92626
phc1: 0.9708847
type: NMR FID
DECIM: 2800
aqMod: 3
isFid: true
tdOff: 0
title: Parameter file, TopSpin 4.0.9
DSPFVS: 21
nucleus: 1H
reverse: false
solvent: C6D6
dimension: 1
increment: 0.00007
isComplex: true
probeName: Z168379_0001 (CP2.1 TCI 500S2 H-C/N-D-05 Z XT)
experiment: 1d
groupDelay: 76
temperature: 299.9991
spectrumSize: 65536
baseFrequency: 500.13
digitalFilter: 76
fieldStrength: 11.746350827011339
numberOfScans: 16
pulseSequence: zg30
spectralWidth: 14.2819081330604
numberOfPoints: 14
relaxationTime: 1
acquisitionTime: 0.00091
frequencyOffset: 3250.8450000250377
originFrequency: 500.133250845
pulseStrength90: 31250
experimentNumber: 15
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 1
" ; dct:identifier "https://doi.org/10.57992/nmrxiv.p56.s305.d1777" ; 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 "2026-01-03"^^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 ; dct:title "20220520-VS-Diterpen 3[13]" ; adms:identifier [ 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-d1777" ], [ a adms:Identifier ; dct:description "The DOI of this dataset" ; dct:title "DOI" ; skos:notation "10.57992/nmrxiv.p56.s305.d1777" ] ; dcat:landingPage ; prov:wasGeneratedBy . chmo:0000601 a schema1:DefinedTerm ; schema1:name "heteronuclear multiple bond coherence" . a ; dct:title "Attribution 4.0 International" . a chmo:0000601, prov:Activity ; dct:description "The kind of activity/process used to generate the dataset" ; prov:used . a foaf:Document . a chebi:23367 ; sio:000008 [ a cheminf:000113 ; dct:title "assigned InChI" ; prov:value "InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1" ], [ a ; dct:title "assigned exact mass" ; ns1:hasQuantityKind ; ns1:unit ; prov:value "284.4"^^xsd:float ], [ a cheminf:000042 ; dct:title "assigned molecular formula" ; prov:value "C20H28O" ], [ a cheminf:000059 ; dct:title "assigned InChIKey" ; prov:value "ISHVJVXYPLFKAL-AZUAARDMSA-N" ], [ a cheminf:000018 ; dct:title "assigned SMILES" ; prov:value "CC(C)C1=CC2=C(C=C1)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O" ] . a sio:001378 ; bfo:0000051 ; dct:title "evaluated sample" .