@prefix bfo: . @prefix chebi: . @prefix chemdcatap: . @prefix cheminf: . @prefix chmo: . @prefix dcat: . @prefix dct: . @prefix foaf: . @prefix ns1: . @prefix prov: . @prefix schema1: . @prefix sio: . @prefix xsd: . a dcat:Dataset, chemdcatap:SubstanceSampleCharacterizationDataset ; dct:conformsTo [ a dct:Standard ; dct:identifier ] ; dct:description "This dataset contains NMR spectra obtained for the sample -VS-20220601-Diterpen6
date: 2022-06-01T22:44:00.000Z
isFt: false
name: VS-20220601-Diterpen6/10
phc0: -80.72474
phc1: 3.445451
type: NMR FID
DECIM: 2440
aqMod: 3
isFid: true
tdOff: 0
title: Parameter file, TopSpin 4.1.1
DSPFVS: 21
nucleus: 1H
reverse: false
solvent: MeOD
dimension: 1
increment: 0.00006100000000000017
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: proton
groupDelay: 76
temperature: 300.1485
spectrumSize: 65536
baseFrequency: 600.36
digitalFilter: 76
fieldStrength: 14.100412257822022
numberOfScans: 16
pulseSequence: zg30
spectralWidth: 13.6529284619938
numberOfPoints: 10
relaxationTime: 2
acquisitionTime: 0.0005490000000000015
frequencyOffset: 3602.1600000140097
originFrequency: 600.36360216
pulseStrength90: 31250
experimentNumber: 10
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 1
date: 2022-06-01T22:44:00.000Z
isFt: true
name: VS-20220601-Diterpen6/10
phc0: -80.72474
phc1: 3.445451
type: NMR Spectrum
DECIM: 2440
aqMod: 3
isFid: false
tdOff: 0
title: Parameter file, TopSpin 4.1.1
DSPFVS: 21
nucleus: 1H
reverse: false
solvent: MeOD
dimension: 1
increment: 1.5169920513326445
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: proton
groupDelay: 76
temperature: 300.1485
spectrumSize: 65536
baseFrequency: 600.36
fieldStrength: 14.100412257822022
numberOfScans: 16
pulseSequence: zg30
spectralWidth: 13.6529284619938
numberOfPoints: 10
relaxationTime: 2
acquisitionTime: 0.0005490000000000015
frequencyOffset: 3602.1600000140097
originFrequency: 600.36360216
pulseStrength90: 31250
experimentNumber: 10
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 1
isFt: true
name: VS-20220601-Diterpen6/11
phc0: 0,0
phc1: 0,0
type: NMR Spectrum
isFid: false
tdOff: 0,0
title: Parameter file, TopSpin 4.1.1
nucleus: 1H,1H
reverse: false,false
dimension: 2
increment: 2.80001222502752
isComplex: false
experiment: cosy
spectrumSize: 2048,2048
baseFrequency: 600.36
fieldStrength: 14.100412257822022
spectralWidth: 14.0000611251376
numberOfPoints: 6
acquisitionTime: 0.00029743750000000045
frequencyOffset: 3602.1600000140097
originFrequency: 600.36360216
experimentNumber: 11
acquisitionScheme: notPhaseSensitive
linearPredictionBin: 0,512
lpNumberOfCoefficients: 0,100
windowMultiplicationMode: 4,4
date: 2022-06-02T06:32:53.000Z
isFt: true
name: VS-20220601-Diterpen6/12
phc0: -266.7,185.2368
phc1: 8.001626,0
type: NMR Spectrum
DECIM: 2440
aqMod: 3
isFid: false
tdOff: 0,0
title: Parameter file, TopSpin 4.1.1
DSPFVS: 20
nucleus: 1H,13C
reverse: false,false
solvent: MeOD
dimension: 2
increment: 1.9504183517134002
isComplex: false
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: hsqc
groupDelay: 68
temperature: 300.1525
spectrumSize: 2048,2048
baseFrequency: 600.36,150.960642072
fieldStrength: 14.100412257822022
numberOfScans: 24
pulseSequence: hsqcedetgpsp.3
spectralWidth: 13.6529284619938,210.020279633083
numberOfPoints: 8
relaxationTime: 2
acquisitionTime: 0.0004270000000000012
frequencyOffset: 3602.1600000140097,16605.670627996005
originFrequency: 600.36360216,150.977247742628
pulseStrength90: 31250
experimentNumber: 12
acquisitionScheme: Echo-antiecho
linearPredictionBin: 0,800
lpNumberOfCoefficients: 0,32
windowMultiplicationMode: 4,4
date: 2022-06-02T19:31:39.000Z
isFt: true
name: VS-20220601-Diterpen6/13
phc0: 124.8769,95.50922
phc1: -115.2858,0
type: NMR Spectrum
DECIM: 2440
aqMod: 3
isFid: false
tdOff: 0,0
title: Parameter file, TopSpin 4.1.1
DSPFVS: 20
nucleus: 1H,13C
reverse: false,false
solvent: MeOD
dimension: 2
increment: 1.706616057749225
isComplex: false
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: hmbc
groupDelay: 68
temperature: 300.1483
spectrumSize: 2048,2048
baseFrequency: 600.36,150.960642072
fieldStrength: 14.100412257822022
numberOfScans: 24
pulseSequence: hmbcetgpl3nd
spectralWidth: 13.6529284619938,219.958972815675
numberOfPoints: 9
relaxationTime: 1.5
acquisitionTime: 0.0004880000000000014
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: 2022-06-03T02:30:37.000Z
isFt: false
name: VS-20220601-Diterpen6/14
phc0: -115.3038
phc1: 81.725
type: NMR FID
DECIM: 612
aqMod: 3
isFid: true
tdOff: 0
title: Parameter file, TopSpin 4.1.1
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: 300.1519
spectrumSize: 65536
baseFrequency: 150.960642072
digitalFilter: 76
fieldStrength: 14.097408614576718
numberOfScans: 8192
pulseSequence: zgpg30
spectralWidth: 216.454724474782
numberOfPoints: 14
relaxationTime: 2
acquisitionTime: 0.00019890000000000034
frequencyOffset: 16605.670627996005
originFrequency: 150.977247742628
pulseStrength90: 20833.333333333332
experimentNumber: 14
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 1
date: 2022-06-03T02:30:37.000Z
isFt: true
name: VS-20220601-Diterpen6/14
phc0: -115.3038
phc1: 81.725
type: NMR Spectrum
DECIM: 612
aqMod: 3
isFid: false
tdOff: 0
title: Parameter file, TopSpin 4.1.1
DSPFVS: 21
nucleus: 13C
reverse: false
solvent: MeOD
dimension: 1
increment: 16.65036342113708
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: c13
groupDelay: 76
temperature: 300.1519
spectrumSize: 65536
baseFrequency: 150.960642072
fieldStrength: 14.097408614576718
numberOfScans: 8192
pulseSequence: zgpg30
spectralWidth: 216.454724474782
numberOfPoints: 14
relaxationTime: 2
acquisitionTime: 0.00019890000000000034
frequencyOffset: 16605.670627996005
originFrequency: 150.977247742628
pulseStrength90: 20833.333333333332
experimentNumber: 14
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 1
" ; dct:identifier "https://doi.org/10.57992/nmrxiv.p56.s294.d1708" ; dct:language ; dct:publisher ; dct:subject ; dct:title "VS-20220601-Diterpen6[14]" ; prov:wasGeneratedBy . a dct:LinguisticSystem . chmo:0000595 a schema1:DefinedTerm ; schema1:name "13C nuclear magnetic resonance spectroscopy" . a chmo:0000595, prov:Activity ; prov:used . a chebi:23367 ; sio:000008 [ a cheminf:000042 ; dct:title "assigned IUPAC chemical formula" ; prov:value "C20H30O" ], [ a ; dct:title "assigned exact mass" ; ns1:hasQuantityKind ; ns1:unit ; prov:value "286.5"^^xsd:float ], [ a cheminf:000059 ; dct:title "assigned InChIKey" ; prov:value "DJHJAXUNPSDCLR-UHFFFAOYSA-N" ], [ a cheminf:000018 ; dct:title "assigned SMILES" ; prov:value "C=CC(C)=CCC1C(=C)CCC2C(C)(C)C(=O)CCC12C" ], [ a cheminf:000113 ; dct:title "assigned InChI" ; prov:value "InChI=1S/C20H30O/c1-7-14(2)8-10-16-15(3)9-11-17-19(4,5)18(21)12-13-20(16,17)6/h7-8,16-17H,1,3,9-13H2,2,4-6H3" ] . a foaf:Organization ; foaf:name "nmrXiv" . a sio:001378 ; bfo:0000051 ; dct:title "evaluated sample" .