Dataset

5a_Varian.

This dataset contains NMR spectra obtained for the sample -5a_Varian name: 5a_HEE184_2_20130614_01.13C.fid phc0: -51.5109489052 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277652 spectralWidth: 248.67511736360427 numberOfPoints: 32768 frequencyOffset: 11058.57999999671 originFrequency: 100.5438351 name: 5a_HEE184_2_20130614_01.1H.fid phc0: 178.558408091 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811876855 spectralWidth: 17.96822071042525 numberOfPoints: 16384 frequencyOffset: 2799.045000017486 originFrequency: 399.8146759 name: 5a_HEE184_2_20130614_01.dept.fid phc0: -146 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277652 spectralWidth: 248.67511736360427 numberOfPoints: 32768 frequencyOffset: 11058.57999999671 originFrequency: 100.5438351

Chemical Info

InChI	InChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12,14H,2-7,9H2,1H3
SMILES	CCCCCCCCC(O)C1=CC=CO1
InChI Key	WCDUEUSLTDIZHW-UHFFFAOYSA-N
Molecular Formula	C13H22O2
Exact Mass	210.310 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p57.s363.d1907
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1907
Version
Author	Toni Ditfe, Dr. Eileen Bette, Dr. Haider N. Sultani, Dr. Alexander Otto, Prof. Dr. Ludger A. Wessjohann, Dr. Norbert Arnold, Prof. Dr. Bernhard Westermann
Maintainer
Language	english
MetadataCreated	2024-05-15T09:18:32.641933
MetadataModified	2024-05-15T09:18:32.641941
MetadataPublished	2024-01-19 09:20:10

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : cdcl3 acquisition nucleus : 13C NMR spectrum by dimensionality : 1 NMR probe : Temperature : 25 K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : 248.67511736360427 number of data points : 32768 points relaxation time measurement : seconds