Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H18BrN5O4/c1-3-27-18(26)16-10-23(8-13-4-6-14(19)7-5-13)21-17(16)24-9-15(20-22-24)11-28-12(2)25/h4-7,9-10H,3,8,11H2,1-2H3
SMILES CCOC(=O)c1cn(nc1n1nnc(c1)COC(=O)C)Cc1ccc(cc1)Br
InChI Key JIGNGCLNWAMKPG-UHFFFAOYSA-N
Molecular Formula C18H18BrN5O4
Exact Mass 448.271 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JIGNGCLNWAMKPG-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/JIGNGCLNWAMKPG-UHFFFAOYSA-N/CHMO0000630
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • ethyl 3-[4-(acetyloxymethyl)triazol-1-yl]-1-[(4-bromophenyl)methyl]pyrazole-4-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    170459291 pubchem
    The data in this table is sourced from UniChem at EBI.