Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H7ClN2O/c1-12-7-4-2-6(3-5-7)8(9)10-11-8/h2-5H,1H3
SMILES COc1ccc(cc1)C1(Cl)N=N1
InChI Key SXAZXNYWEPKNNS-UHFFFAOYSA-N
Molecular Formula C8H7ClN2O
Exact Mass 182.607 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SXAZXNYWEPKNNS-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/SXAZXNYWEPKNNS-UHFFFAOYSA-N/CHMO0000630
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-chloro-3-(4-methoxyphenyl)diazirine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J574.211K Nikkaji
    11665508 PubChem
    16769201 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.