Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H13N3O/c22-18(14-10-5-7-12-6-1-2-8-13(12)14)19-17-15-9-3-4-11-16(15)20-21-17/h1-11H,(H2,19,20,21,22)
SMILES O=C(c1cccc2c1cccc2)Nc1n[nH]c2c1cccc2
InChI Key CMWYJVQTHXQCST-UHFFFAOYSA-N
Molecular Formula C18H13N3O
Exact Mass 287.315 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CMWYJVQTHXQCST-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CMWYJVQTHXQCST-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • N-(1H-indazol-3-yl)naphthalene-1-carboxamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453688 pubchem
    The data in this table is sourced from UniChem at EBI.