Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H9F3/c14-13(15,16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H/b9-8+
SMILES	FC(/C=C/c1cccc2c1cccc2)(F)F
InChI Key	SAABBAYVPQJLSI-CMDGGOBGSA-N
Molecular Formula	C13H9F3
Exact Mass	222.206 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SAABBAYVPQJLSI-CMDGGOBGSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/SAABBAYVPQJLSI-CMDGGOBGSA-N/IR
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:31:16.266454
MetadataModified	2024-09-07T12:43:17.142544
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
12700741	PubChem
J797.130C	Nikkaji
The data in this table is sourced from UniChem at EBI.