Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H12O4/c1-20-16(19)9-6-7-12-13(8-9)15(18)11-5-3-2-4-10(11)14(12)17/h2-8,12-13H,1H3
SMILES COC(=O)C1=CC2C(C=C1)C(=O)c1c(C2=O)cccc1
InChI Key XPUGCZXGLANSMF-UHFFFAOYSA-N
Molecular Formula C16H12O4
Exact Mass 268.264 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XPUGCZXGLANSMF-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/XPUGCZXGLANSMF-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-08-20
Related Molecule
  • methyl 9,10-dioxo-4a,9a-dihydroanthracene-2-carboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91827495 PubChem
    The data in this table is sourced from UniChem at EBI.