Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C16H10O4/c17-15-10-14(12-8-4-5-9-13(12)19-15)20-16(18)11-6-2-1-3-7-11/h1-10H
SMILES O=c1cc(OC(=O)c2ccccc2)c2c(o1)cccc2
InChI Key XJVHOURXXNKDMD-UHFFFAOYSA-N
Molecular Formula C16H10O4
Exact Mass 266.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XJVHOURXXNKDMD-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XJVHOURXXNKDMD-UHFFFAOYSA-N/CHMO0000595
Version
Author Jonas Klopf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-06
Related Molecule
  • (2-oxochromen-4-yl) benzoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2021-02-26

    Start time : 19:40:37 UTC

    Creator : Ulrich Schatzschneider

    Label : USC-8

    ID : 135128

    Solvent : CDCl3

    Temperature : 298.1008 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Name : TopSpin

    Version : 3.6.2

    Data-Source Molecule ID Data-Source
    CHEMBL1714592 chembl
    29468148 surechembl
    794063 pubchem
    Molport-002-113-300 molport
    The data in this table is sourced from UniChem at EBI.