Dataset

7a_Varian.

This dataset contains NMR spectra obtained for the sample -7a_Varian name: 7a_HEE287_20140203_04.13C.fid phc0: 50.8366591413 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776016 spectralWidth: 248.67511861028484 numberOfPoints: 32768 frequencyOffset: 11059.083999995779 originFrequency: 100.5438351 name: 7a_HEE287_20140203_04.1H.fid phc0: -59.3753945658 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874806 spectralWidth: 17.968220802510768 numberOfPoints: 16384 frequencyOffset: 2801.0940000058326 originFrequency: 399.8146759 name: 7a_HEE287_20140203_04.dept.fid phc0: -37.5086956522 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776016 spectralWidth: 248.67511861028484 numberOfPoints: 32768 frequencyOffset: 11059.083999995779 originFrequency: 100.5438351

Chemical Info

molecular Image
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/t12-/m0/s1
SMILES CCCCCCCC[C@H](O)C1=CC=CO1
InChI Key WCDUEUSLTDIZHW-LBPRGKRZSA-N
Molecular Formula C13H22O2
Exact Mass 210.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s362.d1902
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1902
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 2024-05-15T08:43:29.298532
MetadataModified 2024-09-23T09:37:28.831466
MetadataPublished 2024-01-19 09:20:10
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.