Dataset

12[1]

This dataset contains NMR spectra obtained for the sample -12 date: 2021-12-27T02:41:42.000Z isFt: true name: 12/1 phc0: -88.61426 phc1: 27.66715 type: NMR Spectrum DECIM: 1936 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.0 DSPFVS: 20 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 2.295073218127622 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z119470/0009 experiment: 1d groupDelay: 67.9885711669922 temperature: 298.431 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.6556589631486 numberOfPoints: 10 relaxationTime: 1 acquisitionTime: 0.0004356000000000006 frequencyOffset: 3088.5074780258037 originFrequency: 500.133088507478 pulseStrength90: 18953.752843062928 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-12-27T02:53:22.000Z isFt: true name: 12/2 phc0: -141.5495 phc1: 84.01103 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 26.292985161766335 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z119470/0009 experiment: 1d groupDelay: 67.9838256835938 temperature: 298.4324 spectrumSize: 32768 baseFrequency: 125.757789 fieldStrength: 11.743848685759856 numberOfScans: 200 pulseSequence: zgpg30 spectralWidth: 236.636866455897 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00015120000000000031 frequencyOffset: 12574.712331996807 originFrequency: 125.770363712332 pulseStrength90: 18532.246108228315 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

InChI	InChI=1S/C22H23NO3/c1-14(2)13-19-22(24)20(15-5-9-17(25-3)10-6-15)21(23-19)16-7-11-18(26-4)12-8-16/h5-14,23H,1-4H3/b19-13-
SMILES	COC1=CC=C(C2=C(C3=CC=C(OC)C=C3)C(=O)/C(=C/C(C)C)N2)C=C1
InChI Key	OGASFMCNOQPSFU-UYRXBGFRSA-N

Data and Resources

12[1]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p94.s840.d4135
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source	https://nmrxiv.org/D4135
Version
Author	Schweitzer C, Schmidt R.
Maintainer
Language	english
MetadataPublished	2025-03-07T08:24:17.000000Z
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 PABBO BB-1H/D Z-GRD Z119470/0009 Temperature : 298.431 K magnetic field strength : 11.746350827011339 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 20.6556589631486 number of data points : 10 points relaxation time measurement : 1 seconds

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