Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H21N3O/c20-16(18-10-4-1-5-11-18)9-6-12-19-13-17-14-7-2-3-8-15(14)19/h2-3,7-8,13H,1,4-6,9-12H2
SMILES O=C(N1CCCCC1)CCCn1cnc2c1cccc2
InChI Key ROMNOCNWUFQBNP-UHFFFAOYSA-N
Molecular Formula C16H21N3O
Exact Mass 271.357 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ROMNOCNWUFQBNP-UHFFFAOYSA-N/NMR/13C/CHLOROFORM-d/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/ROMNOCNWUFQBNP-UHFFFAOYSA-N/NMR/13C/CHLOROFORM-d/75.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-03
Related Molecule
  • 4-(benzimidazol-1-yl)-1-piperidin-1-ylbutan-1-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    76853103 pubchem
    The data in this table is sourced from UniChem at EBI.