Dataset

AEIII-073_aliquot1_diketo_CeCl3_NaBH4_-78C_05.24.2024[1]

This dataset contains NMR spectra obtained for the sample -AEIII-073_aliquot1_diketo_CeCl3_NaBH4_-78C_05.24.2024 date: 2024-05-24T20:13:30.000Z isFt: true name: AEIII-073_aliquot1_diketo_CeCl3_NaBH4_-78C_05.24.2024/1 phc0: -49.86892 phc1: 41.79943 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 1.8176979895022818 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1507 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 12 relaxationTime: 1 acquisitionTime: 0.000550000000000482 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 16129.032258064517 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

InChI	InChI=1S/C25H40O3Si/c1-23(2,3)29(6,7)28-17-14-16-8-9-18-19-10-11-21(26)24(19,4)13-12-20(18)25(16,5)22(27)15-17/h14,17-20H,8-13,15H2,1-7H3/t17?,18?,19?,20?,24-,25-/m0/s1
SMILES	CC(C)(C)[Si](C)(C)OC1C=C2CCC3C(CC[C@]4(C)C(=O)CCC34)[C@@]2(C)C(=O)C1
InChI Key	WATRTLFPLVDPLA-OQQXCLJYSA-N

Data and Resources

AEIII-073_aliquot1_diketo_CeCl3_NaBH4_-78C_05.2...HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p101.s903.d4431
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D4431
Version
Author
Maintainer
Language	english
MetadataPublished	2025-03-24T17:22:25.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) Temperature : 298.1507 K magnetic field strength : 11.746350827011339 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 19.9946778845251 number of data points : 12 points relaxation time measurement : 1 seconds

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