Dataset

5a_Varian.

This dataset contains NMR spectra obtained for the sample -5a_Varian name: 5a_HEE184_2_20130614_01.13C.fid phc0: -51.5109489052 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277652 spectralWidth: 248.67511736360427 numberOfPoints: 32768 frequencyOffset: 11058.57999999671 originFrequency: 100.5438351 name: 5a_HEE184_2_20130614_01.1H.fid phc0: 178.558408091 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811876855 spectralWidth: 17.96822071042525 numberOfPoints: 16384 frequencyOffset: 2799.045000017486 originFrequency: 399.8146759 name: 5a_HEE184_2_20130614_01.dept.fid phc0: -146 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277652 spectralWidth: 248.67511736360427 numberOfPoints: 32768 frequencyOffset: 11058.57999999671 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
SMILES CCCCCCCCC(O)C1=CC=CO1
InChI Key WCDUEUSLTDIZHW-UHFFFAOYSA-N
Molecular Formula C13H22O2
Exact Mass 210.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s363.d1905
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1905
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 2024-05-15T09:03:02.269602
MetadataModified 2024-09-23T09:37:49.180688
MetadataPublished 2024-01-19 09:20:10
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
10021662 NMRShiftDB
J956.559K Nikkaji
15713154 PubChem: Thomson Pharma
10679980 PubChem
The data in this table is sourced from UniChem at EBI.