Dataset

11c_JCAMP.

This dataset contains NMR spectra obtained for the sample -11c_JCAMP date: 2014/02/11 10:23:49.000 isFt: true name: 11c_HEE297 type: NMR SPECTRUM isFid: false lastX: -791.582254262 title: HEE297_20140211_03.1H firstX: 6392.325791718 nucleus: 1H solvent: cdcl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: null pulseSequence: s2pul numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS originFrequency: 399.8146759 acquisitionScheme: undefined date: 2014/02/11 13:46:19.000 isFt: true name: 11c_HEE297 type: NMR SPECTRUM isFid: false lastX: -1440.53404529 title: HEE297_20140211_03.13C firstX: 23559.465954710002 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/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(22)16-17-20(23-19)24-21(2,3)4/h16-17,19-20H,5-15H2,1-4H3
SMILES [CH:1]1=[CH:2][CH:3]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[O:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[C:6]1=[O:7]
InChI Key ZDYYYIGTVOCEMS-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s358.d1892
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1892
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
MetadataPublished 2024-01-19 09:20:10
Related Molecule
  • nfdi4chem-mol5598 (Unknown Molecule)
  • nfdi4chem-mol9440 (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.