Dataset

4c_Varian.

This dataset contains NMR spectra obtained for the sample -4c_Varian name: 4c_HEE161_20130416_01.13C.fid phc0: 142.088879206 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277739 spectralWidth: 248.67511521159614 numberOfPoints: 32768 frequencyOffset: 11057.709999988674 originFrequency: 100.5438351 name: 4c_HEE161_20130416_01.1H.fid phc0: 104.150845036 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811872604 spectralWidth: 17.968220901472368 numberOfPoints: 16384 frequencyOffset: 2803.296000024602 originFrequency: 399.8146759 name: 4c_HEE161_20130416_01.dept.fid phc0: -318.960526316 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.53277739 spectralWidth: 248.67511521159614 numberOfPoints: 32768 frequencyOffset: 11057.709999988674 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(18)13-14-17(15)19/h13-16,18H,2-12H2,1H3/t15-,16+/m1/s1
SMILES CCCCCCCCCCCC[C@H]1C(=O)C=C[C@@H]1O
InChI Key WVMZBDMNLNWZON-CVEARBPZSA-N
Molecular Formula C17H30O2
Exact Mass 266.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s375.d1943
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1943
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 2024-04-22T15:34:19.324052
MetadataModified 2024-09-23T09:28:04.377410
MetadataPublished 2024-01-19 09:20:10
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
165416620 PubChem
The data in this table is sourced from UniChem at EBI.