Dataset

Hexyl Nayori.topspin.1d

This dataset contains NMR spectra obtained for the sample -Hexyl Nayori.topspindate: 2020-08-25T15:18:22.000ZisFt: falsename: Hexyl Nayori.topspin/1phc0: 232.5713phc1: -2.822731type: NMR FIDDECIM: 24aqMod: 3isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 12nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.00006240000000000018isComplex: trueprobeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003experiment: 1dgroupDelay: -1temperature: 298.2spectrumSize: 32768baseFrequency: 500.13digitalFilter: 70.16666666666667fieldStrength: 11.746350827011339numberOfScans: 8pulseSequence: zg30spectralWidth: 16.0213765034678numberOfPoints: 103relaxationTime: 1acquisitionTime: 0.0063648000000000185frequencyOffset: 3088.5074780258037originFrequency: 500.133088507478pulseStrength90: 26315.78947368421experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-08-25T15:18:22.000ZisFt: truename: Hexyl Nayori.topspin/1phc0: 232.5713phc1: -2.822731type: NMR SpectrumDECIM: 24aqMod: 3isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 12nucleus: 1Hreverse: falsesolvent: CDCl3dimension: 1increment: 0.15707231866144902isComplex: trueprobeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003experiment: 1dgroupDelay: -1temperature: 298.2spectrumSize: 32768baseFrequency: 500.13fieldStrength: 11.746350827011339numberOfScans: 8pulseSequence: zg30spectralWidth: 16.0213765034678numberOfPoints: 103relaxationTime: 1acquisitionTime: 0.0063648000000000185frequencyOffset: 3088.5074780258037originFrequency: 500.133088507478pulseStrength90: 26315.78947368421experimentNumber: 1acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-08-25T17:52:42.000ZisFt: falsename: Hexyl Nayori.topspin/3phc0: 132.3334phc1: -341.4type: NMR FIDDECIM: 6aqMod: 1isFid: truetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 10nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 0.00001664999999999999isComplex: trueprobeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003experiment: 1dgroupDelay: -1temperature: 298.2spectrumSize: 32768baseFrequency: 125.757789digitalFilter: 59.08333333333333fieldStrength: 11.743848685759856numberOfScans: 512pulseSequence: zgpgspectralWidth: 238.768728992791numberOfPoints: 5relaxationTime: 2acquisitionTime: 0.00006659999999999997frequencyOffset: 12575.304853001511originFrequency: 125.770364304853pulseStrength90: 21739.130434782608experimentNumber: 3acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1date: 2020-08-25T17:52:42.000ZisFt: truename: Hexyl Nayori.topspin/3phc0: 132.3334phc1: -341.4type: NMR SpectrumDECIM: 6aqMod: 1isFid: falsetdOff: 0title: Parameter file, TopSpin 3.6.1DSPFVS: 10nucleus: 13Creverse: falsesolvent: CDCl3dimension: 1increment: 59.69218224819775isComplex: trueprobeName: 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003experiment: 1dgroupDelay: -1temperature: 298.2spectrumSize: 32768baseFrequency: 125.757789fieldStrength: 11.743848685759856numberOfScans: 512pulseSequence: zgpgspectralWidth: 238.768728992791numberOfPoints: 5relaxationTime: 2acquisitionTime: 0.00006659999999999997frequencyOffset: 12575.304853001511originFrequency: 125.770364304853pulseStrength90: 21739.130434782608experimentNumber: 3acquisitionScheme: 0linearPredictionBin: 0lpNumberOfCoefficients: 0windowMultiplicationMode: 1

Chemical Info

InChI	InChI=1S/C36H40BrNO4/c1-2-3-4-11-18-40-35-21-28-16-17-38-32(30(28)22-36(35)42-25-27-14-9-6-10-15-27)19-29-20-33(39)34(23-31(29)37)41-24-26-12-7-5-8-13-26/h5-10,12-15,20-23,32,38-39H,2-4,11,16-19,24-25H2,1H3/t32-/m0/s1
SMILES	CCCCCCOC1=C(OCC2=CC=CC=C2)C=C2C(=C1)CCN[C@H]2CC1=CC(O)=C(OCC2=CC=CC=C2)C=C1Br
InChI Key	RFSRWBGXYKVPSK-YTTGMZPUSA-N

Data and Resources

Hexyl Nayori.topspin.1dHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p21.s147.d676
License URL
Source	https://nmrxiv.org/D676
Version
Author	Namballa HK, Dorogan M, Gudipally AR, Okafor S, Gadhiya S, Harding WW.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:01:47.704977
MetadataModified	2024-09-23T09:31:06.839805
MetadataPublished	2023-11-23 22:29:51

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPDCH 13C/D-1H Z-GRD Z75003/0003 Temperature : 298.2 K magnetic field strength : 11.743848685759856 Tesla number of scans : 512 scans nuclear magnetic resonance pulse sequence : zgpg Spectral Width : 238.768728992791 number of data points : 5 points relaxation time measurement : 2 seconds