Dataset

13c_Varian.

This dataset contains NMR spectra obtained for the sample -13c_Varian name: 13c_HEE301_20140213_13.13C.fid phc0: 54.7528308736 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532774823 spectralWidth: 248.675121561257 numberOfPoints: 32768 frequencyOffset: 11060.276999998565 originFrequency: 100.5438351 name: 13c_HEE301_20140213_13.1H.fid phc0: -78.4418680435 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811876245 spectralWidth: 17.968220737839676 numberOfPoints: 16384 frequencyOffset: 2799.654999989798 originFrequency: 399.8146759 name: 13c_HEE301_20140213_13.dept.fid phc0: -30.9168131963 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532774823 spectralWidth: 248.675121561257 numberOfPoints: 32768 frequencyOffset: 11060.276999998565 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-17-21(23)18(22)15-16-19(21)24-20(2,3)4/h15-16,19,23H,5-14,17H2,1-4H3/t19-,21-/m0/s1
SMILES CCCCCCCCCCCC[C@]1(O)C(=O)C=C[C@@H]1OC(C)(C)C
InChI Key XYTFEHOVKCFNQD-FPOVZHCZSA-N
Molecular Formula C21H38O3
Exact Mass 338.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s378.d1951
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1951
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 2024-04-22T15:59:00.480033
MetadataModified 2024-09-23T09:30:47.253025
MetadataPublished 2024-01-19 09:20:10
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
165416623 PubChem
The data in this table is sourced from UniChem at EBI.