Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H22BrF2N3O2/c1-6-24-15(23)16(18,19)13-9-12(17)7-8-14(13)20-21-22(10(2)3)11(4)5/h7-11H,6H2,1-5H3/b21-20+
SMILES CCOC(=O)C(c1cc(Br)ccc1/N=N/N(C(C)C)C(C)C)(F)F
InChI Key JGJBOZTZOHTXPZ-QZQOTICOSA-N
Molecular Formula C16H22BrF2N3O2
Exact Mass 406.266 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JGJBOZTZOHTXPZ-QZQOTICOSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/JGJBOZTZOHTXPZ-QZQOTICOSA-N/IR
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:03:10.345373
MetadataModified 2024-09-07T13:30:44.347114
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J3.251.963F Nikkaji
The data in this table is sourced from UniChem at EBI.