Dataset

Ohauamine C CDCl3.noesy

This dataset contains NMR spectra obtained for the sample -Ohauamine C CDCl3 date: 2023-07-23T21:53:41.000Z isFt: true name: Ohauamine C CDCl3/1 phc0: 9.981585 phc1: 38.66573 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.5086042844677359 isComplex: true probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 68 temperature: 292.9994 spectrumSize: 16384 baseFrequency: 600.17 fieldStrength: 14.095949804745555 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 19.8355670942417 numberOfPoints: 40 relaxationTime: 0.1 acquisitionTime: 0.0016380000000000014 frequencyOffset: 2500.6500000017695 originFrequency: 600.17250065 pulseStrength90: 36764.705882352944 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2023-07-23T22:21:47.000Z isFt: true name: Ohauamine C CDCl3/2 phc0: 0.9726868 phc1: 217.0502 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: -16 title: Parameter file, TopSpin 4.1.4 DSPFVS: -1 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 9.859713336450666 isComplex: true probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: 1d groupDelay: 68 temperature: 293 spectrumSize: 32768 baseFrequency: 150.912866534 fieldStrength: 14.092947112083596 numberOfScans: 800 pulseSequence: zg0pg spectralWidth: 236.633120074816 numberOfPoints: 25 relaxationTime: 0.6305881 acquisitionTime: 0.0003359999999999997 frequencyOffset: 13959.360000001197 originFrequency: 150.926825894 pulseStrength90: 17036.866415974855 experimentNumber: 2 linearPredictionBin: 16384 lpNumberOfCoefficients: 8192 windowMultiplicationMode: 1 date: 2023-07-23T22:35:27.000Z isFt: true name: Ohauamine C CDCl3/3 phc0: -96.96461,0 phc1: -1,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 2.2039500625285777 isComplex: false probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: cosy groupDelay: 68 temperature: 293.0005 spectrumSize: 1024,256 baseFrequency: 600.17,600.17 fieldStrength: 14.095949804745555 numberOfScans: 2 pulseSequence: cosygpppqf spectralWidth: 19.8355505627572,20 numberOfPoints: 10 relaxationTime: 1.4 acquisitionTime: 0.00037800000000000035 frequencyOffset: 3000.850000034916,3000.850000034916 originFrequency: 600.17300085,600.17300085 pulseStrength90: 36764.705882352944 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,3 date: 2023-07-23T23:14:30.000Z isFt: true name: Ohauamine C CDCl3/4 phc0: -231.0605,5.946084 phc1: -6.331311,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.8032318693415634 isComplex: false probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: hsqc groupDelay: 68 temperature: 292.9989 spectrumSize: 1024,256 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 8 pulseSequence: hsqcedetgpsisp.2 spectralWidth: 19.8355505627572,168 numberOfPoints: 12 relaxationTime: 1 acquisitionTime: 0.00046200000000000044 frequencyOffset: 3000.850000034916,11469.377892012744 originFrequency: 600.17300085,150.924335911892 pulseStrength90: 36764.705882352944 experimentNumber: 4 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2023-07-24T00:57:48.000Z isFt: true name: Ohauamine C CDCl3/5 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.8032318693415634 isComplex: false probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: hmbc groupDelay: 68 temperature: 292.9986 spectrumSize: 1024,256 baseFrequency: 600.17,150.912866534 fieldStrength: 14.095949804745555 numberOfScans: 20 pulseSequence: hmbcgplpndqf spectralWidth: 19.8355505627572,188 numberOfPoints: 12 relaxationTime: 1 acquisitionTime: 0.00046200000000000044 frequencyOffset: 3000.850000034916,12978.506562006942 originFrequency: 600.17300085,150.925845040562 pulseStrength90: 36764.705882352944 experimentNumber: 5 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,3 date: 2023-07-24T03:43:18.000Z isFt: true name: Ohauamine C CDCl3/6 phc0: -173.3364,-86.05956 phc1: 49.8731,-180.575 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.3223700375171465 isComplex: false probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: noesy groupDelay: 68 temperature: 293.0004 spectrumSize: 1024,256 baseFrequency: 600.17,600.17 fieldStrength: 14.095949804745555 numberOfScans: 20 pulseSequence: noesygpphpp.rak spectralWidth: 19.8355505627572,20 numberOfPoints: 16 relaxationTime: 1 acquisitionTime: 0.0006300000000000006 frequencyOffset: 3000.850000034916,3000.850000034916 originFrequency: 600.17300085,600.17300085 pulseStrength90: 36764.705882352944 experimentNumber: 6 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2023-07-24T05:00:11.000Z isFt: true name: Ohauamine C CDCl3/7 phc0: 310.9383,-0.006058773 phc1: -19.83938,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,15N reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.3223700375171465 isComplex: false probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: hsqc groupDelay: 68 temperature: 292.999 spectrumSize: 1024,128 baseFrequency: 600.17,60.81469795 fieldStrength: 14.095949804745555 numberOfScans: 32 pulseSequence: hsqcetgpsi spectralWidth: 19.8355505627572,100 numberOfPoints: 16 relaxationTime: 1 acquisitionTime: 0.0006300000000000006 frequencyOffset: 3000.850000034916,6081.469799994466 originFrequency: 600.17300085,60.8207794198 pulseStrength90: 36764.705882352944 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2023-07-24T06:24:35.000Z isFt: true name: Ohauamine C CDCl3/8 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 1680 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.4 DSPFVS: 20 nucleus: 1H,15N reverse: false,false solvent: CDCl3 dimension: 2 increment: 1.5258115817505538 isComplex: false probeName: Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z) experiment: hmbc groupDelay: 68 temperature: 292.9999 spectrumSize: 1024,128 baseFrequency: 600.17,60.81469795 fieldStrength: 14.095949804745555 numberOfScans: 32 pulseSequence: hmbcgpndqf spectralWidth: 19.8355505627572,200 numberOfPoints: 14 relaxationTime: 1 acquisitionTime: 0.0005460000000000005 frequencyOffset: 3000.850000034916,6081.469799994466 originFrequency: 600.17300085,60.8207794198 pulseStrength90: 36764.705882352944 experimentNumber: 8 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,3

Chemical Info

molecular Image
InChI InChI=1S/C16H25N3O4/c1-8(2)6-15-13(21)18-16(7-9(3)4)14(22)23-10(5)11(19(15)16)12(20)17-15/h8-11H,6-7H2,1-5H3,(H,17,20)(H,18,21)/t10-,11-,15+,16+/m0/s1
SMILES CC(C)C[C@]12NC(=O)[C@@H]3[C@H](C)OC(=O)[C@](CC(C)C)(NC1=O)N32
InChI Key XMBAZHDNDXMZKG-DPDCMNJDSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p87.s736.d3650
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D3650
Version
Author
Maintainer
Language english
MetadataCreated 2025-02-03T17:01:41.820094
MetadataModified 2025-02-03T17:01:41.820099
MetadataPublished 2024-12-19 01:06:40
Related Molecule
Field Value
Measurement Technique noesy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : 1H , 1H

NMR spectrum by dimensionality : 2

NMR probe : Z44896_0057 (CP TCI 600S3 H-C/N-D-05 Z)

Temperature : 293.0004 K

irradiation frequency : 600.17 MHz , 600.17 MHz

magnetic field strength : 14.095949804745555 Tesla

number of scans : 20 scans

nuclear magnetic resonance pulse sequence : noesygpphpp.rak

Spectral Width : 19.8355505627572 , 20

number of data points : 16 points

relaxation time measurement : 1 seconds

Data-Source Molecule ID Data-Source
No additional information available for this Dataset.