Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

Chemical Information

molecular Image
InChI InChI=1S/C15H13NO/c1-3-7-12(8-4-1)14-11-17-15(16-14)13-9-5-2-6-10-13/h1-10,14H,11H2/t14-/m0/s1
SMILES c1ccc(cc1)[C@@H]1COC(=N1)c1ccccc1
InChI Key DTQJMAHDNUWGFH-AWEZNQCLSA-N
Molecular Formula C15H13NO
Exact Mass 223.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DTQJMAHDNUWGFH-AWEZNQCLSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/DTQJMAHDNUWGFH-AWEZNQCLSA-N/CHMO0000763
Version
Author Nicolai Rosenbaum
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-16
Related Molecule
  • (4R)-2,4-diphenyl-4,5-dihydro-1,3-oxazole
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID40477530 EPA CompTox Dashboard
    XUZXAT CCDC
    J643.491F Nikkaji
    SCHEMBL13495018 SureChEMBL
    12098527 PubChem
    The data in this table is sourced from UniChem at EBI.