Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H8ClN3.H2N2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)15-16-14;1-2/h1-8H;1H2
SMILES Clc1ccc(cc1)c1ccc(cc1)N=[N+]=[N-].[N-]=[NH2+]
InChI Key KZMFQRAJYOTACE-UHFFFAOYSA-N
Molecular Formula C12H10ClN5
Exact Mass 259.694 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KZMFQRAJYOTACE-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/KZMFQRAJYOTACE-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • azaniumylideneazanide;1-azido-4-(4-chlorophenyl)benzene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453667 PubChem
    The data in this table is sourced from UniChem at EBI.