Dataset

8a_Varian.

This dataset contains NMR spectra obtained for the sample -8a_Varian name: 8a_HEE286_20140131_21.13C.fid phc0: 52.3243522644 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776386 spectralWidth: 248.67511769506302 numberOfPoints: 32768 frequencyOffset: 11058.714000000691 originFrequency: 100.5438351 name: 8a_HEE286_20140131_21.1H.fid phc0: -59.8774495238 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811876665 spectralWidth: 17.96822071896417 numberOfPoints: 16384 frequencyOffset: 2799.2349999976796 originFrequency: 399.8146759 name: 8a_HEE286_20140131_21.dept.fid phc0: -37.7 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776386 spectralWidth: 248.67511769506302 numberOfPoints: 32768 frequencyOffset: 11058.714000000691 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12,14H,2-7,9H2,1H3/t12-/m1/s1
SMILES CCCCCCCC[C@@H](O)C1=CC=CO1
InChI Key WCDUEUSLTDIZHW-GFCCVEGCSA-N
Molecular Formula C13H22O2
Exact Mass 210.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s383.d1963
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1963
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 2024-05-15T08:02:53.626357
MetadataModified 2024-09-23T09:37:17.908883
MetadataPublished 2024-01-19 09:20:10
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
639807 PubChem
The data in this table is sourced from UniChem at EBI.