@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 -20221118-VS-Diterpen 15
date: 2022-11-19T22:26:28.000Z
isFt: false
name: 20221118-VS-Diterpen 15/10
phc0: 278.6071
phc1: 7.336773
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: CDCl3
dimension: 1
increment: 0.0000699999999999998
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: proton
groupDelay: 76
temperature: 300.1509
spectrumSize: 65536
baseFrequency: 600.36
digitalFilter: 76
fieldStrength: 14.100412257822022
numberOfScans: 8
pulseSequence: zg30
spectralWidth: 11.8975459967145
numberOfPoints: 61
relaxationTime: 2
acquisitionTime: 0.0041999999999999885
frequencyOffset: 3902.3399999678077
originFrequency: 600.36390234
pulseStrength90: 31250
experimentNumber: 10
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 1
date: 2022-11-19T22:26:28.000Z
isFt: true
name: 20221118-VS-Diterpen 15/10
phc0: 278.6071
phc1: 7.336773
type: NMR Spectrum
DECIM: 2800
aqMod: 3
isFid: false
tdOff: 0
title: Parameter file, TopSpin 4.0.9
DSPFVS: 21
nucleus: 1H
reverse: false
solvent: CDCl3
dimension: 1
increment: 0.19829243327857501
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: proton
groupDelay: 76
temperature: 300.1509
spectrumSize: 65536
baseFrequency: 600.36
fieldStrength: 14.100412257822022
numberOfScans: 8
pulseSequence: zg30
spectralWidth: 11.8975459967145
numberOfPoints: 61
relaxationTime: 2
acquisitionTime: 0.0041999999999999885
frequencyOffset: 3902.3399999678077
originFrequency: 600.36390234
pulseStrength90: 31250
experimentNumber: 10
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 1
date: 2022-11-20T00:33:20.000Z
isFt: false
name: 20221118-VS-Diterpen 15/11
phc0: 0
phc1: 0
type: NMR FID
DECIM: 2800
aqMod: 3
isFid: true
tdOff: 0
title: Parameter file, TopSpin 4.0.9
DSPFVS: 20
nucleus: 1H
reverse: false
solvent: CDCl3
dimension: 1
increment: 0.00006999999999999982
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: cosy
groupDelay: 68
temperature: 300.1517
spectrumSize: 2048
baseFrequency: 600.36,600.36
digitalFilter: 68
fieldStrength: 14.100412257822022
numberOfScans: 16
pulseSequence: cosygpmfppqf
spectralWidth: 11.8975459967145,12.0004066249281
numberOfPoints: 8
relaxationTime: 1.5
acquisitionTime: 0.0004899999999999987
frequencyOffset: 3902.3399999678077,3902.3399999678077
originFrequency: 600.36390234,600.36390234
pulseStrength90: 31250
experimentNumber: 11
acquisitionScheme: notPhaseSensitive
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 4
date: 2022-11-20T06:20:56.000Z
isFt: false
name: 20221118-VS-Diterpen 15/12
phc0: -259.7221,-352.5298
phc1: 0.6391073,0
type: NMR FID
DECIM: 2800
aqMod: 3
isFid: true
tdOff: 0,0
title: Parameter file, TopSpin 4.0.9
DSPFVS: 20
nucleus: 1H,13C
reverse: false,false
solvent: CDCl3
dimension: 2
increment: 0.0000699999999999998
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: hsqc
groupDelay: 68
temperature: 300.1513
spectrumSize: 2048,2048
baseFrequency: 600.36,150.960642072
digitalFilter: 68
fieldStrength: 14.100412257822022
numberOfScans: 24
pulseSequence: hsqcedetgpsp.3
spectralWidth: 11.8975459967145,200.034640311014
numberOfPoints: 12
relaxationTime: 2
acquisitionTime: 0.0007699999999999979
frequencyOffset: 3902.3399999678077,13586.457786999517
originFrequency: 600.36390234,150.974228529787
pulseStrength90: 31250
experimentNumber: 12
acquisitionScheme: Echo-antiecho
linearPredictionBin: 0,800
lpNumberOfCoefficients: 0,32
windowMultiplicationMode: 4,4
date: 2022-11-20T19:07:29.000Z
isFt: false
name: 20221118-VS-Diterpen 15/13
phc0: -41.2448,182.4822
phc1: 102.7558,0
type: NMR FID
DECIM: 2800
aqMod: 3
isFid: true
tdOff: 0,0
title: Parameter file, TopSpin 4.0.9
DSPFVS: 20
nucleus: 1H,13C
reverse: false,false
solvent: CDCl3
dimension: 2
increment: 0.00006999999999999982
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: hmbc
groupDelay: 68
temperature: 300.1498
spectrumSize: 2048,2048
baseFrequency: 600.36,150.960642072
digitalFilter: 68
fieldStrength: 14.100412257822022
numberOfScans: 48
pulseSequence: hmbcetgpl3nd
spectralWidth: 11.8975459967145,200.034640311014
numberOfPoints: 15
relaxationTime: 1.5
acquisitionTime: 0.0009799999999999974
frequencyOffset: 3902.3399999678077,13586.457786999517
originFrequency: 600.36390234,150.974228529787
pulseStrength90: 31250
experimentNumber: 13
acquisitionScheme: Echo-antiecho
linearPredictionBin: 0,1024
lpNumberOfCoefficients: 0,32
windowMultiplicationMode: 3,4
date: 2022-11-21T07:40:28.000Z
isFt: false
name: 20221118-VS-Diterpen 15/14
phc0: -68.3718
phc1: 25.4435
type: NMR FID
DECIM: 664
aqMod: 3
isFid: true
tdOff: 0
title: Parameter file, TopSpin 4.0.9
DSPFVS: 21
nucleus: 13C
reverse: false
solvent: CDCl3
dimension: 1
increment: 0.00001660000000000004
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: c13
groupDelay: 76
temperature: 300.1493
spectrumSize: 65536
baseFrequency: 150.960642072
digitalFilter: 76
fieldStrength: 14.097408614576718
numberOfScans: 14336
pulseSequence: zgpg30
spectralWidth: 199.507440581278
numberOfPoints: 15
relaxationTime: 2
acquisitionTime: 0.00023240000000000058
frequencyOffset: 13586.457786999517
originFrequency: 150.974228529787
pulseStrength90: 20833.333333333332
experimentNumber: 14
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 1
date: 2022-11-21T07:40:28.000Z
isFt: true
name: 20221118-VS-Diterpen 15/14
phc0: -68.3718
phc1: 25.4435
type: NMR Spectrum
DECIM: 664
aqMod: 3
isFid: false
tdOff: 0
title: Parameter file, TopSpin 4.0.9
DSPFVS: 21
nucleus: 13C
reverse: false
solvent: CDCl3
dimension: 1
increment: 14.250531470091286
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: c13
groupDelay: 76
temperature: 300.1493
spectrumSize: 65536
baseFrequency: 150.960642072
fieldStrength: 14.097408614576718
numberOfScans: 14336
pulseSequence: zgpg30
spectralWidth: 199.507440581278
numberOfPoints: 15
relaxationTime: 2
acquisitionTime: 0.00023240000000000058
frequencyOffset: 13586.457786999517
originFrequency: 150.974228529787
pulseStrength90: 20833.333333333332
experimentNumber: 14
acquisitionScheme: 0
linearPredictionBin: 0
lpNumberOfCoefficients: 0
windowMultiplicationMode: 1
date: 2022-11-21T09:25:54.000Z
isFt: false
name: 20221118-VS-Diterpen 15/15
type: NMR FID
DECIM: 664
aqMod: 3
isFid: true
title: Parameter file, TopSpin 4.1.1
DSPFVS: 20
nucleus: 13C
solvent: CDCl3
dimension: 1
increment: 0.00001660000000000004
isComplex: true
probeName: Z168380_0003 (CP2.1 TCI 600S3 H-C/N-D-05 Z XT)
experiment: dept
groupDelay: 68
temperature: 300.1525
spectrumSize: 8
baseFrequency: 150.960642072
digitalFilter: 68
fieldStrength: 14.097408614576718
numberOfScans: 2000
pulseSequence: deptsp135
spectralWidth: 199.507440581278
numberOfPoints: 8
relaxationTime: 2
acquisitionTime: 0.00011620000000000029
frequencyOffset: 13586.457786999517
originFrequency: 150.974228529787
pulseStrength90: 20833.333333333332
experimentNumber: 15
acquisitionScheme: 0
" ; dct:identifier "https://doi.org/10.57992/nmrxiv.p56.s298.d1735" ; dct:language ; dct:publisher ; dct:subject ; dct:title "20221118-VS-Diterpen 15[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 "C20H28O3" ], [ a cheminf:000059 ; dct:title "assigned InChIKey" ; prov:value "GPFVBJYXFRIOFB-UHFFFAOYSA-N" ], [ a cheminf:000113 ; dct:title "assigned InChI" ; prov:value "InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)" ], [ a ; dct:title "assigned exact mass" ; ns1:hasQuantityKind ; ns1:unit ; prov:value "316.4"^^xsd:float ], [ a cheminf:000018 ; dct:title "assigned SMILES" ; prov:value "CC(C)C1=CC=C2C(=C1)C(O)CC1C(C)(C(=O)O)CCCC21C" ] . a foaf:Organization ; foaf:name "nmrXiv" . a sio:001378 ; bfo:0000051 ; dct:title "evaluated sample" .