Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C22H18N6O2/c1-15-3-5-16(6-4-15)12-27-13-19(11-23)21(25-27)28-14-20(24-26-28)17-7-9-18(10-8-17)22(29)30-2/h3-10,13-14H,12H2,1-2H3
SMILES COC(=O)c1ccc(cc1)c1nnn(c1)c1nn(cc1C#N)Cc1ccc(cc1)C
InChI Key DMRAVMAMSLYEBQ-UHFFFAOYSA-N
Molecular Formula C22H18N6O2
Exact Mass 398.417 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DMRAVMAMSLYEBQ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/DMRAVMAMSLYEBQ-UHFFFAOYSA-N/CHMO0000630
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:34:58.343385
MetadataModified 2024-09-08T02:34:58.343391
MetadataPublished 2024-02-14
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables