Dataset

5b_Varian.

This dataset contains NMR spectra obtained for the sample -5b_Varian name: 5b_HEE298_20140213_05.13C.fid phc0: 52.3137167226 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776997 spectralWidth: 248.67511618371017 numberOfPoints: 32768 frequencyOffset: 11058.102999996321 originFrequency: 100.5438351 name: 5b_HEE298_20140213_05.1H.fid phc0: -77.1954338172 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811877033 spectralWidth: 17.96822070242563 numberOfPoints: 16384 frequencyOffset: 2798.8670000240745 originFrequency: 399.8146759 name: 5b_HEE298_20140213_05.dept.fid phc0: -37.7 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776998 spectralWidth: 248.67511618123658 numberOfPoints: 32768 frequencyOffset: 11058.101999992687 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14,16H,2-9,11H2,1H3
SMILES CCCCCCCCCCC(O)C1=CC=CO1
InChI Key XDKMPPWBMLMXLH-UHFFFAOYSA-N
Molecular Formula C15H26O2
Exact Mass 238.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s374.d1939
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1939
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 2024-05-15T09:18:28.173742
MetadataModified 2024-09-23T09:37:56.635957
MetadataPublished 2024-01-19 09:20:10
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
15789329 PubChem: Thomson Pharma
10752445 PubChem
J956.562K Nikkaji
SCHEMBL2828919 SureChEMBL
The data in this table is sourced from UniChem at EBI.