Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H22/c1-14-15(2)21(14)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18/h3-6,10,12-13,21H,7-9,11H2,1-2H3
SMILES CC1=C(C1c1cc2CCc3ccc(CCc1cc2)cc3)C
InChI Key PWDVDRMYMFXQOH-UHFFFAOYSA-N
Exact Mass 274.399 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PWDVDRMYMFXQOH-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PWDVDRMYMFXQOH-UHFFFAOYSA-N/CHMO0000595
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
  • nfdi4chem-mol1081 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Nov22-2024

    Date : 20241123

    Start time : 18.35 h

    Label : KT-1229

    ID : 334755

    Solvent : CD2Cl2

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.