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/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
SMILES C[C@@H](c1ccccc1)O
InChI Key WAPNOHKVXSQRPX-ZETCQYMHSA-N
Molecular Formula C8H10O
Exact Mass 122.164 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WAPNOHKVXSQRPX-ZETCQYMHSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/WAPNOHKVXSQRPX-ZETCQYMHSA-N/CHMO0001146
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • (1S)-1-phenylethanol
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    49404 Brenda
    69661 Brenda
    107796 Brenda
    16346 Rhea
    215872 Brenda
    CB0744841 ChemicalBook
    ZINC000000896625 ZINC
    MTBLC16346 Metabolights
    4333 Brenda
    37889 Brenda
    SCHEMBL7144 SureChEMBL
    443135 PubChem
    60059998 NMRShiftDB
    15194425 PubChem: Thomson Pharma
    1445-91-6 ACToR
    PD054520 ProbesDrugs
    476171 eMolecules
    16346 ChEBI
    CHEMBL348446 ChEMBL
    SS1 PDBe
    C11348 KEGG Ligand
    HY-78093A MedChemExpress
    MCULE-9951781231 Mcule
    GURZUQ CCDC
    J56.778G Nikkaji
    DTXSID4073259 EPA CompTox Dashboard
    233218 Brenda
    2MIC4QLY2X FDA SRS
    The data in this table is sourced from UniChem at EBI.