Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H13NO3/c1-8-2-5-10(6-11(8)12(13)14)15-7-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3
SMILES [O-][N+](=O)c1cc(OCC2CC2)ccc1C
InChI Key NIRHPYIZGJDJAC-UHFFFAOYSA-N
Molecular Formula C11H13NO3
Exact Mass 207.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NIRHPYIZGJDJAC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NIRHPYIZGJDJAC-UHFFFAOYSA-N/CHMO0000593
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 4-(cyclopropylmethoxy)-1-methyl-2-nitrobenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    57517515 PubChem
    SCHEMBL2552169 SureChEMBL
    MCULE-9499967754 Mcule
    The data in this table is sourced from UniChem at EBI.