Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C20H20F3N3O/c1-19(2,3)18(27)24-17-15-6-4-5-7-16(15)26(25-17)12-13-8-10-14(11-9-13)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,25,27)
SMILES O=C(C(C)(C)C)Nc1nn(c2c1cccc2)Cc1ccc(cc1)C(F)(F)F
InChI Key BYSKCSGNIJNMLM-UHFFFAOYSA-N
Molecular Formula C20H20F3N3O
Exact Mass 375.388 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BYSKCSGNIJNMLM-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/BYSKCSGNIJNMLM-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:24:05.101507
MetadataModified 2024-09-07T15:33:06.312977
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453642 PubChem
The data in this table is sourced from UniChem at EBI.