Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H17F4N3/c1-8(2)20(9(3)4)19-18-12-6-5-10(14)7-11(12)13(15,16)17/h5-9H,1-4H3/b19-18+
SMILES	Fc1ccc(c(c1)C(F)(F)F)/N=N/N(C(C)C)C(C)C
InChI Key	CKTNFNQPTJASHH-VHEBQXMUSA-N
Molecular Formula	C13H17F4N3
Exact Mass	291.288 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CKTNFNQPTJASHH-VHEBQXMUSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/CKTNFNQPTJASHH-VHEBQXMUSA-N/IR
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:34:43.822425
MetadataModified	2024-09-07T12:48:28.277632
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.081.920I	Nikkaji
The data in this table is sourced from UniChem at EBI.