Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H10O4/c1-2-13-10(12)14-9-5-3-4-8(6-9)7-11/h3-7H,2H2,1H3
SMILES CCOC(=O)Oc1cccc(c1)C=O
InChI Key OMORBSHREBRXKO-UHFFFAOYSA-N
Molecular Formula C10H10O4
Exact Mass 194.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OMORBSHREBRXKO-UHFFFAOYSA-N/NMR/1H/CDCl3/500
License URL
Source https://www.chemotion-repository.net/inchikey/OMORBSHREBRXKO-UHFFFAOYSA-N/NMR/1H/CDCl3/500
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2017-07-27
Related Molecule
  • ethyl (3-formylphenyl) carbonate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    339207 PubChem
    ZINC000001585698 ZINC
    DTXSID70320803 EPA CompTox Dashboard
    SCHEMBL8581214 SureChEMBL
    68423-35-8 ACToR
    The data in this table is sourced from UniChem at EBI.