Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H13ClO3/c1-10-9-11(7-8-13(10)16)19-14-6-4-3-5-12(14)15(17)18-2/h3-9H,1-2H3
SMILES COC(=O)c1ccccc1Oc1ccc(c(c1)C)Cl
InChI Key MCIBTIHXZOLGTI-UHFFFAOYSA-N
Molecular Formula C15H13ClO3
Exact Mass 276.715 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MCIBTIHXZOLGTI-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/MCIBTIHXZOLGTI-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 2-(4-chloro-3-methylphenoxy)benzoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427447 pubchem
    The data in this table is sourced from UniChem at EBI.