Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H16ClNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)
SMILES O=C(C1CCCCC1)Nc1ccc(cc1)Cl
InChI Key RVJKIPFPMXENNO-UHFFFAOYSA-N
Molecular Formula C13H16ClNO
Exact Mass 237.725 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RVJKIPFPMXENNO-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/RVJKIPFPMXENNO-UHFFFAOYSA-N/IR.1
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-12
Related Molecule
  • N-(4-chlorophenyl)cyclohexanecarboxamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    849010 pubchem
    Molport-002-118-935 molport
    The data in this table is sourced from UniChem at EBI.