Dataset

6a_Varian.

This dataset contains NMR spectra obtained for the sample -6a_Varian name: 6a_HEE283_20140226_04.13C.fid phc0: 57.9539489746 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776562 spectralWidth: 248.67511725971423 numberOfPoints: 32768 frequencyOffset: 11058.538000000339 originFrequency: 100.5438351 name: 6a_HEE283_20140226_04.1H.fid phc0: -93.8851703418 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811873541 spectralWidth: 17.968220859362003 numberOfPoints: 16384 frequencyOffset: 2802.3589999861542 originFrequency: 399.8146759 name: 6a_HEE283_20140226_04.dept.fid phc0: -32 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776562 spectralWidth: 248.67511725971423 numberOfPoints: 32768 frequencyOffset: 11058.538000000339 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C13H20O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3
SMILES CCCCCCCCC(=O)C1=CC=CO1
InChI Key IVMLTMNCNAILQF-UHFFFAOYSA-N
Molecular Formula C13H20O2
Exact Mass 208.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s376.d1944
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1944
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 2024-05-15T08:59:35.651801
MetadataModified 2024-09-23T09:37:36.539672
MetadataPublished 2024-01-19 09:20:10
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
J371.321K Nikkaji
3779043 PubChem
16203377 PubChem: Thomson Pharma
SCHEMBL4382929 SureChEMBL
4323817 eMolecules
The data in this table is sourced from UniChem at EBI.