Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H19NO3/c18-15-13-8-1-2-9-14(13)16(19)17(15)10-4-3-6-12-7-5-11-20-12/h1-2,8-9,12H,3-7,10-11H2
SMILES O=C1N(CCCCC2CCCO2)C(=O)c2c1cccc2
InChI Key QWAWSYYGRVSCBS-UHFFFAOYSA-N
Molecular Formula C16H19NO3
Exact Mass 273.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QWAWSYYGRVSCBS-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/QWAWSYYGRVSCBS-UHFFFAOYSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-[4-(oxolan-2-yl)butyl]isoindole-1,3-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    175646802 pubchem
    The data in this table is sourced from UniChem at EBI.