Dataset

2121-08-6 (19)[10]

This dataset contains NMR spectra obtained for the sample -2121-08-6 (19) date: 2024-06-04T14:03:48.000Z isFt: true name: 2121-08-6 (19)/10 phc0: 36.54688 phc1: 38.25516 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 20 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.1162481271879529 isComplex: true probeName: 5 mm CPPBBO BB-1H/19F/D Z-GRD Z122624/0017 experiment: 1d groupDelay: 67.9862518310547 temperature: 292.9976 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 19.9946778763279 numberOfPoints: 173 relaxationTime: 1 acquisitionTime: 0.00859999999999999 frequencyOffset: 3088.5074780258037 originFrequency: 500.133088507478 pulseStrength90: 21739.130434782608 experimentNumber: 10 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-06-05T01:37:54.000Z isFt: true name: 2121-08-6 (19)/11 phc0: -259.2202 phc1: 37.0756 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.8 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 8.159891946755069 isComplex: true probeName: 5 mm CPPBBO BB-1H/19F/D Z-GRD Z122624/0017 experiment: 1d groupDelay: 67.9838256835938 temperature: 293.0007 spectrumSize: 32768 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 4096 pulseSequence: zgpg30 spectralWidth: 236.636866455897 numberOfPoints: 30 relaxationTime: 2 acquisitionTime: 0.000487200000000001 frequencyOffset: 12575.1863320005 originFrequency: 125.770363712332 pulseStrength90: 26315.78947368421 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C11H20N2.2ClH/c1-2-4-13-8-9-5-10(7-12-6-9)11(13)3-1;;/h9-12H,1-8H2;2*1H/t9-,10+,11-;;/m0../s1
SMILES C1CCN2C[C@@H]3CNC[C@@H](C3)[C@@H]2C1.Cl.Cl
InChI Key NTGJEGQLBWHVQV-VJRYUMJJSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p124.s1268.d5469
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5469
Version
Author Arses K.; Gibbons W. A.; Phillipson J. D.; Mascagni P.
Maintainer
Language english
MetadataPublished 2025-08-18T08:13:00.000000Z
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : MeOD

acquisition nucleus : ['1H']

NMR spectrum by dimensionality : 1

NMR probe : 5 mm CPPBBO BB-1H/19F/D Z-GRD Z122624/0017

Temperature : 292.9976 K

magnetic field strength : 11.746350827011339 Tesla

number of scans : 16 scans

nuclear magnetic resonance pulse sequence : zg30

Spectral Width : 19.9946778763279

number of data points : 173 points

relaxation time measurement : 1 seconds

Data-Source Molecule ID Data-Source
154577681 pubchem
Molport-047-362-218 molport
The data in this table is sourced from UniChem at EBI.