Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3
SMILES CC1CCc2c(C1=O)cccc2
InChI Key GANIBVZSZGNMNB-UHFFFAOYSA-N
Molecular Formula C11H12O
Exact Mass 160.212 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GANIBVZSZGNMNB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GANIBVZSZGNMNB-UHFFFAOYSA-N/CHMO0000595
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-09
Related Molecule
  • 2-methyl-3,4-dihydro-2H-naphthalen-1-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : GH_1590-08-5_DMSO

    Date : 20240721

    Start time : 0.17 h

    Label : GEH-58

    ID : 119462

    Solvent : DMSO

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : AVIII300

    Data-Source Molecule ID Data-Source
    SCHEMBL677613 SureChEMBL
    15946815 PubChem: Thomson Pharma
    1590-08-5 ACToR
    10023498 NMRShiftDB
    MCULE-2306893485 Mcule
    J130.713D Nikkaji
    156394 ChEBI
    CB7166826 ChemicalBook
    102650 PubChem
    484540 eMolecules
    The data in this table is sourced from UniChem at EBI.