Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
SMILES CCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2
InChI Key VCHHHSMPMLNVGS-UHFFFAOYSA-N
Molecular Formula C23H21NO
Exact Mass 327.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VCHHHSMPMLNVGS-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VCHHHSMPMLNVGS-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (1-butylindol-3-yl)-naphthalen-1-ylmethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:181123 chebi
    CHEMBL2380416 chembl
    11983320 surechembl
    29375790 surechembl
    10471670 pubchem
    BBX3BP2772 fdasrs
    PD016808 probes_and_drugs
    EROCIY CCDC
    HMDB0245597 hmdb
    85804 bindingdb
    The data in this table is sourced from UniChem at EBI.