Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C12H14O2/c1-12(2)6-5-10-7-9(8-13)3-4-11(10)14-12/h3-7,13H,8H2,1-2H3
SMILES OCc1ccc2c(c1)C=CC(O2)(C)C
InChI Key QNBPDVUHGIPLIS-UHFFFAOYSA-N
Molecular Formula C12H14O2
Exact Mass 190.238 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QNBPDVUHGIPLIS-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/QNBPDVUHGIPLIS-UHFFFAOYSA-N/CHMO0001150
Version
Author Nicole Volz
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-07
Related Molecule
  • (2,2-dimethylchromen-6-yl)methanol
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000015119475 ZINC
    70007747 NMRShiftDB
    14558470 PubChem
    85156313 PubChem: Thomson Pharma
    SCHEMBL9033640 SureChEMBL
    CHEMBL503271 ChEMBL
    J1.702.968A Nikkaji
    DTXSID40561665 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.