Dataset

12a_Varian.

This dataset contains NMR spectra obtained for the sample -12a_Varian name: 12a_HEE295_20140210_02.13C.fid phc0: 51.663444519 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776263 spectralWidth: 248.67511799931242 numberOfPoints: 32768 frequencyOffset: 11058.836999993106 originFrequency: 100.5438351 name: 12a_HEE295_20140210_02.1H.fid phc0: -75.0376831007 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811873561 spectralWidth: 17.96822085846317 numberOfPoints: 16384 frequencyOffset: 2802.3389999702886 originFrequency: 399.8146759 name: 12a_HEE295_20140210_02.dept.fid phc0: -35.8858695652 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776263 spectralWidth: 248.67511799931242 numberOfPoints: 32768 frequencyOffset: 11058.836999993106 originFrequency: 100.5438351

Chemical Info

molecular Image
InChI InChI=1S/C17H30O3/c1-5-6-7-8-9-10-11-15-14(18)12-13-16(19-15)20-17(2,3)4/h12-13,15-16H,5-11H2,1-4H3/t15-,16?/m1/s1
SMILES CCCCCCCC[C@H]1OC(OC(C)(C)C)C=CC1=O
InChI Key BMHCBBLRQFEKMM-AAFJCEBUSA-N
Molecular Formula C17H30O3
Exact Mass 282.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s372.d1933
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1933
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 2024-05-15T09:21:04.588795
MetadataModified 2024-09-23T09:38:04.279926
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.