Dataset

12b_Varian.

This dataset contains NMR spectra obtained for the sample -12b_Varian name: 12b_HEE313_20140221_02.13C.fid phc0: 54.1910616794 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775441 spectralWidth: 248.6751200325891 numberOfPoints: 32768 frequencyOffset: 11059.65899999717 originFrequency: 100.5438351 name: 12b_HEE313_20140221_02.1H.fid phc0: -77.5225089784 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811875419 spectralWidth: 17.968220774961512 numberOfPoints: 16384 frequencyOffset: 2800.4810000084035 originFrequency: 399.8146759 name: 12b_HEE313_20140221_02.dept.fid phc0: -36.7820017817 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532775441 spectralWidth: 248.6751200325891 numberOfPoints: 32768 frequencyOffset: 11059.65899999717 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C19H34O3/c1-5-6-7-8-9-10-11-12-13-17-16(20)14-15-18(21-17)22-19(2,3)4/h14-15,17-18H,5-13H2,1-4H3/t17-,18?/m1/s1
SMILES CCCCCCCCCC[C@H]1OC(OC(C)(C)C)C=CC1=O
InChI Key KLVPWNXZZLQNQO-QNSVNVJESA-N
Molecular Formula C19H34O3
Exact Mass 310.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s339.d1867
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1867
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 2024-05-15T08:20:15.036554
MetadataModified 2024-09-23T09:37:26.358323
MetadataPublished 2024-01-19 09:20:10
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.