Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H10O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h2-6H,1,7H2,(H,11,12)
SMILES C=CCOc1ccc(cc1)C(=O)O
InChI Key DYDWKSVZHZNBLO-UHFFFAOYSA-N
Molecular Formula C10H10O3
Exact Mass 178.185 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DYDWKSVZHZNBLO-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/DYDWKSVZHZNBLO-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-prop-2-enoxybenzoic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    838063 eMolecules
    16423071 PubChem: Thomson Pharma
    SCHEMBL1489146 SureChEMBL
    ZINC000002022960 ZINC
    J671.651B Nikkaji
    DTXSID90332726 EPA CompTox Dashboard
    TICLAU CCDC
    460690 PubChem
    MCULE-8973770870 Mcule
    The data in this table is sourced from UniChem at EBI.