Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C17H20O2/c1-17(2,3)13-9-11-14(12-10-13)19-16-8-6-5-7-15(16)18-4/h5-12H,1-4H3
SMILES COc1ccccc1Oc1ccc(cc1)C(C)(C)C
InChI Key NEIUJSAHXLHKHK-UHFFFAOYSA-N
Molecular Formula C17H20O2
Exact Mass 256.339 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NEIUJSAHXLHKHK-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/NEIUJSAHXLHKHK-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-tert-butyl-4-(2-methoxyphenoxy)benzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11145775 PubChem
    J1.107.208I Nikkaji
    The data in this table is sourced from UniChem at EBI.