Dataset

6b_Varian.

This dataset contains NMR spectra obtained for the sample -6b_Varian name: 6b_HEE303_20140219_02.13C.fid phc0: 54.1128252944 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532777317 spectralWidth: 248.67511539216696 numberOfPoints: 32768 frequencyOffset: 11057.782999998268 originFrequency: 100.5438351 name: 6b_HEE303_20140219_02.1H.fid phc0: -79.7083394979 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811872306 spectralWidth: 17.96822091486499 numberOfPoints: 16384 frequencyOffset: 2803.5939999995207 originFrequency: 399.8146759 name: 6b_HEE303_20140219_02.dept.fid phc0: -31.5114741218 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532777317 spectralWidth: 248.67511539216696 numberOfPoints: 32768 frequencyOffset: 11057.782999998268 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-13H,2-9,11H2,1H3
SMILES CCCCCCCCCCC(=O)C1=CC=CO1
InChI Key PKAZAHQKFJNVGA-UHFFFAOYSA-N
Molecular Formula C15H24O2
Exact Mass 236.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s381.d1958
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1958
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 2024-05-15T08:59:56.973013
MetadataModified 2024-09-23T09:37:36.788404
MetadataPublished 2024-01-19 09:20:10
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
15721327 PubChem
J397.285B Nikkaji
The data in this table is sourced from UniChem at EBI.