Dataset

12c_Varian.

This dataset contains NMR spectra obtained for the sample -12c_Varian name: 12c_HEE296_20140211_02.13C.fid phc0: 54.8695652174 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775596 spectralWidth: 248.67511964918535 numberOfPoints: 32768 frequencyOffset: 11059.504000002107 originFrequency: 100.5438351 name: 12c_HEE296_20140211_02.1H.fid phc0: -76.6100196301 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875556 spectralWidth: 17.9682207688045 numberOfPoints: 16384 frequencyOffset: 2800.3439999793045 originFrequency: 399.8146759 name: 12c_HEE296_20140211_02.dept.fid phc0: -35.1461956522 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775596 spectralWidth: 248.67511964918535 numberOfPoints: 32768 frequencyOffset: 11059.504000002107 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(22)16-17-20(23-19)24-21(2,3)4/h16-17,19-20H,5-15H2,1-4H3/t19-,20?/m1/s1
SMILES CCCCCCCCCCCC[C@H]1OC(OC(C)(C)C)C=CC1=O
InChI Key ZDYYYIGTVOCEMS-FIWHBWSRSA-N
Molecular Formula C21H38O3
Exact Mass 338.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s367.d1919
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1919
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 2024-05-15T09:17:55.188145
MetadataModified 2024-09-23T09:37:55.455672
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.