Dataset

AEIV-034A_C1_C17_diketo_CaCl2_NaBH4_-78C_08.16.2024[1]

This dataset contains NMR spectra obtained for the sample -AEIV-034A_C1_C17_diketo_CaCl2_NaBH4_-78C_08.16.2024 date: 2024-08-16T15:50:33.000Z isFt: true name: AEIV-034A_C1_C17_diketo_CaCl2_NaBH4_-78C_08.16.2024/1 phc0: 0 phc1: 0 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: 1.99946778845251 isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1505 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 11 relaxationTime: 1 acquisitionTime: 0.0005000000000004381 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19607.843137254902 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p101.s897.d4425
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D4425
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 : Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z)

Temperature : 298.1505 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 : 11 points

relaxation time measurement : 1 seconds

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