Dataset

1d (Z)[13C NMR]

This dataset contains NMR spectra obtained for the sample -1d (Z) date: 2024-01-26T02:21:03.000Z isFt: true name: 1d (Z)/0 phc0: -32.05624 phc1: 71.65053 type: NMR Spectrum DECIM: 832 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 26.53943439305978 isComplex: true probeName: Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) experiment: 1d groupDelay: 67.9839324951172 temperature: 300.0022 spectrumSize: 32768 baseFrequency: 100.63037 fieldStrength: 9.397333142299662 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 238.854909537538 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.0001872000000002808 frequencyOffset: 10063.076999998088 originFrequency: 100.640433077 pulseStrength90: 25510.20408163265 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-24T17:55:16.000Z isFt: true name: 1d (Z)/0 phc0: -113.8694 phc1: -7.606365 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.1 DSPFVS: 21 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 2.2832010178864888 isComplex: true probeName: Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) experiment: 1d groupDelay: 76 temperature: 299.9959 spectrumSize: 65536 baseFrequency: 400.2 fieldStrength: 9.399335374742444 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.5488091609784 numberOfPoints: 10 relaxationTime: 1 acquisitionTime: 0.0005472000000000004 frequencyOffset: 2471.3988220241845 originFrequency: 400.202471398822 pulseStrength90: 20491.803278688527 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

InChI	InChI=1S/C16H11ClO/c17-16-10-9-15(18-16)8-6-12-5-7-13-3-1-2-4-14(13)11-12/h1-11H/b8-6-
SMILES	ClC1=CC=C(/C=C\C2=CC=C3C=CC=CC3=C2)O1
InChI Key	IKLUMJGETBQBSG-VURMDHGXSA-N

Data and Resources

1d (Z)[13C NMR]HTML

Go to source

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p146.s1435.d6325
License URL
Source	https://nmrxiv.org/D6325
Version
Author	Katherine Lyon, Chenyu Pan, Shainthavaan Sathiyalingam, Yang Wu, Jochen R. Brandt
Maintainer
Language	english
MetadataPublished	2026-03-26T10:57:31.000000Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : Z108618_0305 (PA BBO 400S1 BBF-H-D-05 Z PLUS) Temperature : 300.0022 K magnetic field strength : 9.397903774194397 Tesla number of scans : 1024 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 238.854909537538 number of data points : 65536 points relaxation time measurement : 2 seconds

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