Dataset

NMR_Bruker-FID.cosy

This dataset contains NMR spectra obtained for the sample NMR_Bruker-FID date: 2017-01-20.

Chemical Information

molecular Image
InChI InChI=1S/C15H14O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h4-8H,1-3H3
SMILES CC1=C2C=CC(C)=C2C=C2C(C)=COC2=C1
InChI Key LMVGRKPOXLBIFQ-UHFFFAOYSA-N
Molecular Formula C15H14O
Exact Mass 210.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p2.s273.d1596
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1596
Version
Author Nils Keltsch, Viola Munzert, Klaus-Peter Zeller, Hans-Ullrich Siehl, Stefan Berger, Dieter Sicker
Maintainer
Language english
MetadataPublished 2024-01-02 13:07:54
Related Molecule
  • 1,5,8-trimethylazuleno[6,5-b]furan
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    NMR solvent : C6D6

    acquisition nucleus : 1H , 1H

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0287

    Temperature : 299.9447 K

    irradiation frequency : 400.2 MHz , 400.2 MHz

    magnetic field strength : 9.399335374742444 Tesla

    number of scans : 4 scans

    nuclear magnetic resonance pulse sequence : cosygpqf

    Spectral Width : 15.0164400977997 , 14.9984131589067

    number of data points : 7 points

    relaxation time measurement : 3 seconds

    Data-Source Molecule ID Data-Source
    656393 PubChem
    70001201 NMRShiftDB
    16557922 PubChem: Thomson Pharma
    489-79-2 ACToR
    J11.762E Nikkaji
    DTXSID20349625 EPA CompTox Dashboard
    CHEMBL503851 ChEMBL
    The data in this table is sourced from UniChem at EBI.