Dataset

13a_Varian.

This dataset contains NMR spectra obtained for the sample -13a_Varian name: 13a_HEE300_S1A_20140213_01.13C.fid phc0: 55.1208423117 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775371 spectralWidth: 248.67512020573918 numberOfPoints: 32768 frequencyOffset: 11059.728999995856 originFrequency: 100.5438351 name: 13a_HEE300_S1A_20140213_01.1H.fid phc0: -77.3280721211 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874847 spectralWidth: 17.968220800668156 numberOfPoints: 16384 frequencyOffset: 2801.0529999846767 originFrequency: 399.8146759 name: 13a_HEE300_S1A_20140213_01.dept.fid phc0: -44.5 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775371 spectralWidth: 248.67512020573918 numberOfPoints: 32768 frequencyOffset: 11059.728999995856 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C17H30O3/c1-5-6-7-8-9-10-13-17(19)14(18)11-12-15(17)20-16(2,3)4/h11-12,15,19H,5-10,13H2,1-4H3/t15-,17-/m0/s1
SMILES CCCCCCCC[C@]1(O)C(=O)C=C[C@@H]1OC(C)(C)C
InChI Key TUCAXGNMUKBIKE-RDJZCZTQSA-N
Molecular Formula C17H30O3
Exact Mass 282.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s371.d1930
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1930
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 2024-05-15T08:03:37.975265
MetadataModified 2024-09-23T09:37:20.085875
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.