Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C12H13NO3/c1-15-4-5-16-10-2-3-11-9(8-14)7-13-12(11)6-10/h2-3,6-8,13H,4-5H2,1H3
SMILES COCCOc1ccc2c(c1)[nH]cc2C=O
InChI Key LNEZZIODZYSDBG-UHFFFAOYSA-N
Molecular Formula C12H13NO3
Exact Mass 219.237 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LNEZZIODZYSDBG-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/LNEZZIODZYSDBG-UHFFFAOYSA-N/CHMO0001150
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 6-(2-methoxyethoxy)-1H-indole-3-carbaldehyde
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168433119 PubChem
    The data in this table is sourced from UniChem at EBI.