Dataset

4a_Varian.

This dataset contains NMR spectra obtained for the sample -4a_Varian name: 4a_HEE185_20130627_03.13C.fid phc0: 125.195836141 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776917 spectralWidth: 248.67511638159596 numberOfPoints: 32768 frequencyOffset: 11058.18299998873 originFrequency: 100.5438351 name: 4a_HEE185_20130627_03.1H.fid phc0: 95.3004020699 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874455 spectralWidth: 17.9682208182853 numberOfPoints: 16384 frequencyOffset: 2801.4449999886892 originFrequency: 399.8146759 name: 4a_HEE185_20130627_03.dept.fid phc0: -322.4 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776917 spectralWidth: 248.67511638159596 numberOfPoints: 32768 frequencyOffset: 11058.18299998873 originFrequency: 100.5438351

Chemical Info

InChI	InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-12(14)9-10-13(11)15/h9-12,14H,2-8H2,1H3/t11-,12+/m1/s1
SMILES	CCCCCCCC[C@H]1C(=O)C=C[C@@H]1O
InChI Key	YVUMNOUOTTWTRW-NEPJUHHUSA-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.s360.d1898
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1898
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	2024-05-15T09:18:12.846766
MetadataModified	2024-05-15T09:18:12.846772
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 : 248.67511638159596 number of data points : 32768 points relaxation time measurement : seconds