Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H16F3N5O/c1-10(2)24-9-23-13-14(21-8-22-15(13)24)20-7-11-3-5-12(6-4-11)25-16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21,22)
SMILES CC(n1cnc2c1ncnc2NCc1ccc(cc1)OC(F)(F)F)C
InChI Key ACFVTUUDIKIFOX-UHFFFAOYSA-N
Molecular Formula C16H16F3N5O
Exact Mass 351.326 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ACFVTUUDIKIFOX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ACFVTUUDIKIFOX-UHFFFAOYSA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:52:13.623460
MetadataModified 2024-09-07T13:14:24.619242
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427474 PubChem
The data in this table is sourced from UniChem at EBI.