Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
SMILES CCCCC(=O)O
InChI Key NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Molecular Formula C5H10O2
Exact Mass 102.132 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NQPDZGIKBAWPEJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/NQPDZGIKBAWPEJ-UHFFFAOYSA-N/CHMO0000595
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • pentanoic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02406 drugbank
    CHEBI:17418 chebi
    LMFA01010005 lipidmaps
    LEA rcsb_pdb
    PEI rcsb_pdb
    CHEMBL268736 chembl
    5886 surechembl
    7991 pubchem
    GZK92PJM7B fdasrs
    1061 gtopdb
    PD008360 probes_and_drugs
    VALRAC CCDC
    101794 brenda
    101795 brenda
    12618 brenda
    12653 brenda
    1541 brenda
    2040 brenda
    31679 brenda
    4577 brenda
    HMDB0000892 hmdb
    Molport-001-780-113 molport
    The data in this table is sourced from UniChem at EBI.