Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H17NO2/c1-10-9-15(13(16)17-14(2,3)4)12-8-6-5-7-11(10)12/h5-9H,1-4H3
SMILES Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C
InChI Key SMURSSZMVCOKOO-UHFFFAOYSA-N
Exact Mass 231.290 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SMURSSZMVCOKOO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SMURSSZMVCOKOO-UHFFFAOYSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-17
Related Molecule
  • tert-butyl 3-methylindole-1-carboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1196432 surechembl
    11806510 pubchem
    Molport-009-677-395 molport
    The data in this table is sourced from UniChem at EBI.