Dataset

9c_Varian.

This dataset contains NMR spectra obtained for the sample -9c_Varian name: 9c_HEE293_20140210_04.13C.fid phc0: 52.6356736888 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776032 spectralWidth: 248.6751185707077 numberOfPoints: 32768 frequencyOffset: 11059.067999994455 originFrequency: 100.5438351 name: 9c_HEE293_20140210_04.1H.fid phc0: -74.4119518191 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875163 spectralWidth: 17.968220786466585 numberOfPoints: 16384 frequencyOffset: 2800.7369999727416 originFrequency: 399.8146759 name: 9c_HEE293_20140210_04.dept.fid phc0: -37.4 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776033 spectralWidth: 248.6751185682341 numberOfPoints: 32768 frequencyOffset: 11059.066999990819 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-15(18)13-14-17(19)20-16/h13-14,16-17,19H,2-12H2,1H3/t16-,17?/m0/s1
SMILES CCCCCCCCCCCC[C@@H]1OC(O)C=CC1=O
InChI Key HRRYGSPDIDDOQX-BHWOMJMDSA-N
Molecular Formula C17H30O3
Exact Mass 282.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s370.d1928
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1928
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 2024-05-15T09:03:50.368541
MetadataModified 2024-09-23T09:37:51.342120
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.