Dataset

13c_JCAMP[13c_HEE301.jdx]

This dataset contains NMR spectra obtained for the sample -13c_JCAMP date: 2014/02/13 13:12:22.000 isFt: true name: 13c_HEE301 type: NMR SPECTRUM isFid: false lastX: -792.299370655 title: HEE301_20140213_13.1H firstX: 6391.608675325 nucleus: 1H solvent: cdcl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: null pulseSequence: s2pul numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS originFrequency: 399.8146759 acquisitionScheme: undefined date: 2014/02/13 15:51:34.000 isFt: true name: 13c_HEE301 type: NMR SPECTRUM isFid: false lastX: -1439.72306524 title: HEE301_20140213_13.13C firstX: 23560.27693476 nucleus: 13C solvent: cdcl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: null pulseSequence: s2pul numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS originFrequency: 100.5438351 acquisitionScheme: undefined

Chemical Information

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
SMILES [CH:1]1([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[C:2]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:16][CH2:17][CH2:18][CH3:19])([OH:15])[C:3](=[O:6])[CH:4]=[CH:5]1
InChI Key XYTFEHOVKCFNQD-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s379.d1953
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1953
Version
Author Toni Ditfe, Eileen Bette, Haider N. Sultani, Alexander Otto, Ludger A. Wessjohann, Norbert Arnold, Bernhard Westermann
Maintainer
Language english
MetadataPublished 2024-01-19T09:20:10.000000Z
Related Molecule
  • nfdi4chem-mol2670 (Unknown Molecule)
  • nfdi4chem-mol7396 (Unknown Molecule)
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : cdcl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence : s2pul

    Spectral Width :

    number of data points : 65536 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.