Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7H,4,8H2
SMILES C1=Cc2c(CC1)cccc2
InChI Key KEIFWROAQVVDBN-UHFFFAOYSA-N
Molecular Formula C10H10
Exact Mass 130.186 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KEIFWROAQVVDBN-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/KEIFWROAQVVDBN-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-08
Related Molecule
  • 1,2-dihydronaphthalene
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    38142 ChEBI
    HMDB0244076 Human Metabolome Database
    J53.715B Nikkaji
    DTXSID30858713 EPA CompTox Dashboard
    502326 eMolecules
    CB4363862 ChemicalBook
    MCULE-3396777212 Mcule
    SCHEMBL160705 SureChEMBL
    30095870 NMRShiftDB
    ZINC000049771086 ZINC
    SCHEMBL20184216 SureChEMBL
    16746 Brenda
    14842919 PubChem: Thomson Pharma
    9938 PubChem
    447-53-0 ACToR
    29828-28-2 ACToR
    The data in this table is sourced from UniChem at EBI.