Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H17N/c1-11(2)9-7-5-6-8-10(9)12(3,4)13-11/h5-8,13H,1-4H3
SMILES CC1(C)NC(c2c1cccc2)(C)C
InChI Key ZAHPSFHHFNVYAR-UHFFFAOYSA-N
Molecular Formula C12H17N
Exact Mass 175.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZAHPSFHHFNVYAR-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZAHPSFHHFNVYAR-UHFFFAOYSA-N/CHMO0000595
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-10
Related Molecule
  • 1,1,3,3-tetramethyl-2H-isoindole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3736031 chembl
    2191872 surechembl
    641027 pubchem
    DTXSID20348850 comptox
    Molport-027-947-680 molport
    The data in this table is sourced from UniChem at EBI.