Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H21NO3/c18-12-8-4-2-1-3-7-11-17-15(19)13-9-5-6-10-14(13)16(17)20/h5-6,9-10,18H,1-4,7-8,11-12H2
SMILES OCCCCCCCCN1C(=O)c2c(C1=O)cccc2
InChI Key RBDXDFOXVNNMNG-UHFFFAOYSA-N
Molecular Formula C16H21NO3
Exact Mass 275.343 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RBDXDFOXVNNMNG-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RBDXDFOXVNNMNG-UHFFFAOYSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-(8-hydroxyoctyl)isoindole-1,3-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1703575 surechembl
    31664190 surechembl
    21884230 pubchem
    Molport-028-750-965 molport
    The data in this table is sourced from UniChem at EBI.