Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C19H23N/c1-18(2)16-12-8-9-13-17(16)19(3,4)20(18)14-15-10-6-5-7-11-15/h5-13H,14H2,1-4H3
SMILES CC1(C)c2ccccc2C(N1Cc1ccccc1)(C)C
InChI Key PXORNCDWOHJSJD-UHFFFAOYSA-N
Molecular Formula C19H23N
Exact Mass 265.393 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PXORNCDWOHJSJD-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PXORNCDWOHJSJD-UHFFFAOYSA-N/CHMO0000595
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-06
Related Molecule
  • 2-benzyl-1,1,3,3-tetramethylisoindole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12923879 PubChem
    SCHEMBL1922770 SureChEMBL
    J1.055.027K Nikkaji
    ZINC000034063104 ZINC
    DTXSID90513093 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.