Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO/c1-2-9(1)8-14-11-4-3-10-5-6-13-12(10)7-11/h3-4,7,9,13H,1-2,5-6,8H2
SMILES C1Cc2c(N1)cc(cc2)OCC1CC1
InChI Key ZXEQARPTHZHTRZ-UHFFFAOYSA-N
Molecular Formula C12H15NO
Exact Mass 189.254 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZXEQARPTHZHTRZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZXEQARPTHZHTRZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 6-(cyclopropylmethoxy)-2,3-dihydro-1H-indole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    115074664 PubChem
    The data in this table is sourced from UniChem at EBI.