Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H11NO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,9H2,1-2H3
SMILES COc1ccc(cc1C)N
InChI Key NFWPZNNZUCPLAX-UHFFFAOYSA-N
Molecular Formula C8H11NO
Exact Mass 137.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NFWPZNNZUCPLAX-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/NFWPZNNZUCPLAX-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-31
Related Molecule
  • 4-methoxy-3-methylaniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-8614182654 Mcule
    67297 PubChem
    J10.039K Nikkaji
    DTXSID20159625 EPA CompTox Dashboard
    ZINC000001847720 ZINC
    CB6266868 ChemicalBook
    10228911 eMolecules
    SCHEMBL245409 SureChEMBL
    16593752 PubChem: Thomson Pharma
    136-90-3 ACToR
    The data in this table is sourced from UniChem at EBI.