Dataset

compound_01[1f HC.jcamp]

This dataset contains NMR spectra obtained for the sample -compound_01 date: 2025/05/19 16:56:23.000 isFt: true name: 1f HC type: NMRSPECTRUM isFid: false lastX: -1952.794359456533 title: HXY-17-48-1.2.fid firstX: 32137.5945454618 nucleus: 13C solvent: CDCl3 dataClass: XYDATA dimension: 1 isComplex: false experiment: 1d pulseSequence: zgpg30 numberOfPoints: 65536 acquisitionMode: SIMULTANEOUS (DQD) originFrequency: 125.78796814 acquisitionScheme: undefined

Chemical Information

molecular Image
InChI InChI=1S/C23H20O/c1-3-9-17(10-4-1)20-15-23(20)16-22(18-11-5-2-6-12-18)24-21-14-8-7-13-19(21)23/h1-14,20,22H,15-16H2
SMILES C1=CC=C(C2CC3(CC3C3=CC=CC=C3)C3=CC=CC=C3O2)C=C1
InChI Key HYVDSVZNLZLFKH-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p115.s1169.d5113
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D5113
Version
Author
Maintainer
Language english
MetadataPublished 2025-05-28T02:53:32.000000Z
Related Molecule
  • nfdi4chem-mol8731 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    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 : zgpg30

    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.