Dataset

SODXVIII_087_S112_GRIG_ADD_C3_OTBS_C12A_OTMS_C20_OH_MIN_DIAS_FU_.hmbc

This dataset contains NMR spectra obtained for the sample -SODXVIII_087_S112_GRIG_ADD_C3_OTBS_C12A_OTMS_C20_OH_MIN_DIAS_FU_ date: 2020-10-25T15:16:20.000Z isFt: true name: SODXVIII_087_S112_GRIG_ADD_C3_OTBS_C12A_OTMS_C20_OH_MIN_DIAS_FU_/1 phc0: -67.05002 phc1: 60.7455 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.7 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.2856382554932157 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.001 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 71 relaxationTime: 1 acquisitionTime: 0.0035000000000030666 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 26595.74468085106 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-10-25T16:00:32.000Z isFt: true name: SODXVIII_087_S112_GRIG_ADD_C3_OTBS_C12A_OTMS_C20_OH_MIN_DIAS_FU_/2 phc0: -373.76 phc1: 240.6621 type: NMR Spectrum DECIM: 672 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.7 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 13.146492518933 isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: 1d groupDelay: 67.9838256835938 temperature: 300.0016 spectrumSize: 131072 baseFrequency: 125.757788526 fieldStrength: 11.743848641495527 numberOfScans: 512 pulseSequence: udeft spectralWidth: 236.636865340794 numberOfPoints: 19 relaxationTime: 4 acquisitionTime: 0.0003023999999999987 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 16666.666666666668 experimentNumber: 2 linearPredictionBin: 262144 lpNumberOfCoefficients: 4096 windowMultiplicationMode: 1 date: 2020-10-25T16:08:23.000Z isFt: false name: SODXVIII_087_S112_GRIG_ADD_C3_OTBS_C12A_OTMS_C20_OH_MIN_DIAS_FU_/3 phc0: 0 phc1: 0 type: NMR FID DECIM: 672 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9838256835938 temperature: 299.9998 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9838256835938 fieldStrength: 11.743848641495527 numberOfScans: 128 pulseSequence: deptsp90 spectralWidth: 236.636865341416 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 12575.779000002285 originFrequency: 125.770364305 pulseStrength90: 16666.666666666668 experimentNumber: 3 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-10-25T16:11:17.000Z isFt: false name: SODXVIII_087_S112_GRIG_ADD_C3_OTBS_C12A_OTMS_C20_OH_MIN_DIAS_FU_/4 phc0: 174.2729 phc1: 249.6 type: NMR FID DECIM: 992 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: dept groupDelay: 67.9840087890625 temperature: 299.9999 spectrumSize: 32768 baseFrequency: 125.757788526 digitalFilter: 67.9840087890625 fieldStrength: 11.743848641495527 numberOfScans: 32 pulseSequence: deptsp135 spectralWidth: 160.305598442561 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 10060.621999997466 originFrequency: 125.767849148 pulseStrength90: 16666.666666666668 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2020-10-25T16:12:08.000Z isFt: false name: SODXVIII_087_S112_GRIG_ADD_C3_OTBS_C12A_OTMS_C20_OH_MIN_DIAS_FU_/5 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: cosy groupDelay: 67.985595703125 temperature: 300.0002 spectrumSize: 1024,1024 baseFrequency: 500.13,500.13 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 1 pulseSequence: cosygpppqf spectralWidth: 12.9835593399742,12.9835593399742 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 3000.779999979386,3000.779999979386 originFrequency: 500.13300078,500.13300078 pulseStrength90: 26595.74468085106 experimentNumber: 5 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2020-10-25T16:16:26.000Z isFt: false name: SODXVIII_087_S112_GRIG_ADD_C3_OTBS_C12A_OTMS_C20_OH_MIN_DIAS_FU_/6 phc0: -144.649,-163.5878 phc1: -180.0023,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 21 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hsqc groupDelay: 76 temperature: 297.9968 spectrumSize: 2048,2048 baseFrequency: 500.13,125.757788526 digitalFilter: 76 fieldStrength: 11.746350827011339 numberOfScans: 2 pulseSequence: hsqcedetgpsisp2.3 spectralWidth: 12.983576218522,164.962602395549 numberOfPoints: 1 relaxationTime: 1.5 acquisitionTime: 0 frequencyOffset: 2350.610999997116,9431.835000000887 originFrequency: 500.132350611,125.767220361 pulseStrength90: 26595.74468085106 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,60 windowMultiplicationMode: 4,4 date: 2020-10-25T16:21:01.000Z isFt: false name: SODXVIII_087_S112_GRIG_ADD_C3_OTBS_C12A_OTMS_C20_OH_MIN_DIAS_FU_/7 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 3080 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.2 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: null isComplex: true probeName: Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) experiment: hmbc groupDelay: 67.985595703125 temperature: 300.0016 spectrumSize: 2048,1024 baseFrequency: 500.13,125.757788526 digitalFilter: 67.985595703125 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: hmbcetgpl3nd spectralWidth: 12.9835658317182,239.487911911164 numberOfPoints: 1 relaxationTime: 2 acquisitionTime: 0 frequencyOffset: 2750.714999990578,12575.779000002285 originFrequency: 500.132750715,125.770364305 pulseStrength90: 26595.74468085106 experimentNumber: 7 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 3,4

Chemical Info

molecular Image
InChI InChI=1S/C30H56O3Si2/c1-20(31)24-14-15-25-23-13-12-21-18-22(32-35(10,11)28(2,3)4)16-17-29(21,5)26(23)19-27(30(24,25)6)33-34(7,8)9/h12,20,22-27,31H,13-19H2,1-11H3
SMILES CC(O)C1CCC2C3CC=C4CC(O[Si](C)(C)C(C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C
InChI Key AGHDUDNSPISFTM-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p69.s529.d2775
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source https://nmrxiv.org/D2775
Version
Author
Maintainer
Language english
MetadataCreated 2025-02-03T16:54:52.837985
MetadataModified 2025-02-03T16:54:52.837991
MetadataPublished 2024-06-05 22:00:45
Related Molecule
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : 1H , 13C

NMR spectrum by dimensionality : 2

NMR probe : Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z)

Temperature : 300.0016 K

irradiation frequency : 500.13 MHz , 125.757788526 MHz

magnetic field strength : 11.746350827011339 Tesla

number of scans : 4 scans

nuclear magnetic resonance pulse sequence : hmbcetgpl3nd

Spectral Width : 12.9835658317182 , 239.487911911164

number of data points : 1 points

relaxation time measurement : 2 seconds

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