Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H22O2/c1-16(2,3)19-15(18)17(4)13-10-9-11-7-5-6-8-12(11)14(13)17/h5-8,13-14H,9-10H2,1-4H3
SMILES O=C(C1(C)C2C1c1ccccc1CC2)OC(C)(C)C
InChI Key ZKOJGSACLVCNLK-UHFFFAOYSA-N
Molecular Formula C17H22O2
Exact Mass 258.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZKOJGSACLVCNLK-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZKOJGSACLVCNLK-UHFFFAOYSA-N/CHMO0000593
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-07-25
Related Molecule
  • tert-butyl 1-methyl-1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene-1-carboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146680726 PubChem
    The data in this table is sourced from UniChem at EBI.