Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H13ClN6O2/c1-12-9-18(23-11-16(20-22-23)13-5-3-2-4-6-13)21-24(12)17-8-7-14(25(26)27)10-15(17)19/h2-11H,1H3
SMILES Clc1cc(ccc1n1nc(cc1C)n1nnc(c1)c1ccccc1)[N+](=O)[O-]
InChI Key NASFABBFAHTRIZ-UHFFFAOYSA-N
Molecular Formula C18H13ClN6O2
Exact Mass 380.788 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NASFABBFAHTRIZ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NASFABBFAHTRIZ-UHFFFAOYSA-N/CHMO0000630
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 1-[1-(2-chloro-4-nitrophenyl)-5-methylpyrazol-3-yl]-4-phenyltriazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.