Dataset

9a_Varian.

This dataset contains NMR spectra obtained for the sample -9a_Varian name: 9a_HEE289_20140206_01.13C.fid phc0: 52.6721428581 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775987 spectralWidth: 248.67511868201848 numberOfPoints: 32768 frequencyOffset: 11059.11300000173 originFrequency: 100.5438351 name: 9a_HEE289_20140206_01.1H.fid phc0: -74.2850054354 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874919 spectralWidth: 17.968220797432355 numberOfPoints: 16384 frequencyOffset: 2800.981000007141 originFrequency: 399.8146759 name: 9a_HEE289_20140206_01.dept.fid phc0: -37.3 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775988 spectralWidth: 248.67511867954488 numberOfPoints: 32768 frequencyOffset: 11059.111999998095 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C13H22O3/c1-2-3-4-5-6-7-8-12-11(14)9-10-13(15)16-12/h9-10,12-13,15H,2-8H2,1H3/t12-,13?/m0/s1
SMILES CCCCCCCC[C@@H]1OC(O)C=CC1=O
InChI Key IWXIQYYOEMWJQO-UEWDXFNNSA-N
Molecular Formula C13H22O3
Exact Mass 226.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s382.d1960
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1960
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 2024-05-15T09:19:16.055751
MetadataModified 2024-09-23T09:38:01.439146
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.