Dataset

6c_Varian.

This dataset contains NMR spectra obtained for the sample -6c_Varian name: 6c_HEE230_20131114_03.13C.fid phc0: 116.789904056 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776699 spectralWidth: 248.6751169208348 numberOfPoints: 32768 frequencyOffset: 11058.400999999663 originFrequency: 100.5438351 name: 6c_HEE230_20131114_03.1H.fid phc0: 35.0898289174 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.81187378 spectralWidth: 17.96822084862094 numberOfPoints: 16384 frequencyOffset: 2802.1200000125646 originFrequency: 399.8146759 name: 6c_HEE230_20131114_03.dept.fid phc0: 24.3967391304 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776699 spectralWidth: 248.6751169208348 numberOfPoints: 32768 frequencyOffset: 11058.400999999663 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3
SMILES CCCCCCCCCCCCC(=O)C1=CC=CO1
InChI Key AUBNJEAJFRJWQJ-UHFFFAOYSA-N
Molecular Formula C17H28O2
Exact Mass 264.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s377.d1949
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1949
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 2024-05-15T09:18:54.053000
MetadataModified 2024-09-23T09:37:57.459228
MetadataPublished 2024-01-19 09:20:10
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
13464345 PubChem
SCHEMBL18825664 SureChEMBL
J397.286K Nikkaji
The data in this table is sourced from UniChem at EBI.