Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C10H12O3/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-6H,1-3H3
SMILES COc1ccc(c(c1)C(=O)C)OC
InChI Key FAXUIYJKGGUCBO-UHFFFAOYSA-N
Molecular Formula C10H12O3
Exact Mass 180.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FAXUIYJKGGUCBO-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/FAXUIYJKGGUCBO-UHFFFAOYSA-N/CHMO0001146
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 1-(2,5-dimethoxyphenyl)ethanone
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    536871 eMolecules
    SCHEMBL885028 SureChEMBL
    15487269 PubChem: Thomson Pharma
    1201-38-3 ACToR
    CB5150014 ChemicalBook
    Y79C66POM1 FDA SRS
    J80.091K Nikkaji
    ZINC000000164090 ZINC
    DTXSID0061618 EPA CompTox Dashboard
    MCULE-3800952212 Mcule
    20143551 NMRShiftDB
    70991 PubChem
    The data in this table is sourced from UniChem at EBI.