Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
SMILES COc1ccc(cc1)C=O
InChI Key ZRSNZINYAWTAHE-UHFFFAOYSA-N
Molecular Formula C8H8O2
Exact Mass 136.148 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZRSNZINYAWTAHE-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/ZRSNZINYAWTAHE-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:26:25.304756
MetadataModified 2025-02-04T13:22:53.460371
MetadataPublished 2024-08-07
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    Measurement Technique 1H–1H correlation spectroscopy
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    YADJIY CCDC
    C10761 KEGG Ligand
    CHEMBL161598 ChEMBL
    15321422 PubChem: Thomson Pharma
    31244 PubChem
    PD000895 ProbesDrugs
    SCHEMBL1100 SureChEMBL
    50984-52-6 ACToR
    123-11-5 ACToR
    9PA5V6656V FDA SRS
    477886 eMolecules
    14732 Brenda
    1016 Brenda
    124483 Brenda
    137101 Brenda
    2471 Brenda
    28235 ChEBI
    137028 Brenda
    HMDB0029686 Human Metabolome Database
    MTBLC28235 Metabolights
    CB7491195 ChemicalBook
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    4039 Brenda
    55802 Brenda
    MCULE-9537754812 Mcule
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    The data in this table is sourced from UniChem at EBI.