Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H12ClNO2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
SMILES ClCC(=O)Nc1cc(C)ccc1OC
InChI Key ZVVBFKIUBBHWEV-UHFFFAOYSA-N
Molecular Formula C10H12ClNO2
Exact Mass 213.661 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZVVBFKIUBBHWEV-UHFFFAOYSA-N/NMR/13C/CDCl3/75
License URL
Source https://www.chemotion-repository.net/inchikey/ZVVBFKIUBBHWEV-UHFFFAOYSA-N/NMR/13C/CDCl3/75
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-chloro-N-(2-methoxy-5-methylphenyl)acetamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    440153 eMolecules
    SCHEMBL10684407 SureChEMBL
    MCULE-4578632211 Mcule
    736991 PubChem
    ZINC000000163409 ZINC
    DTXSID30353157 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.