Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H16O2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h8-9H,1-7H2
SMILES C1COC(C1)CC1CCCO1
InChI Key NWHFKQUSCDFSRM-UHFFFAOYSA-N
Molecular Formula C9H16O2
Exact Mass 156.222 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NWHFKQUSCDFSRM-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/NWHFKQUSCDFSRM-UHFFFAOYSA-N/CHMO0000595
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-(oxolan-2-ylmethyl)oxolane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1189847 surechembl
    14106281 pubchem
    The data in this table is sourced from UniChem at EBI.