Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H24N4O2S/c1-17-11-13-19(14-12-17)28(26,27)25-15-7-3-6-10-20-21(25)22-23-24(20)16-18-8-4-2-5-9-18/h2,4-5,8-9,11-14H,3,6-7,10,15-16H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCCCc2c1nnn2Cc1ccccc1
InChI Key NTMZXZGDUCVGNK-UHFFFAOYSA-N
Molecular Formula C21H24N4O2S
Exact Mass 396.506 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NTMZXZGDUCVGNK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NTMZXZGDUCVGNK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-benzyl-4-(4-methylphenyl)sulfonyl-6,7,8,9-tetrahydro-5H-triazolo[4,5-b]azocine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.