Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C19H22BrN5O2/c1-3-5-6-16-12-25(23-21-16)18-17(19(26)27-4-2)13-24(22-18)11-14-7-9-15(20)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3
SMILES CCCCc1nnn(c1)c1nn(cc1C(=O)OCC)Cc1ccc(cc1)Br
InChI Key YERIOOVHZOGENU-UHFFFAOYSA-N
Molecular Formula C19H22BrN5O2
Exact Mass 432.314 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YERIOOVHZOGENU-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/YERIOOVHZOGENU-UHFFFAOYSA-N/CHMO0000630
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:36:25.570320
MetadataModified 2024-09-08T02:36:25.570326
MetadataPublished 2024-02-14
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables