Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H12F4O4/c1-18-8-5-4-7(6-9(8)19-2)11(13,10(17)20-3)12(14,15)16/h4-6H,1-3H3
SMILES	COC(=O)C(C(F)(F)F)(c1ccc(c(c1)OC)OC)F
InChI Key	CAXIUYKIHFPTPC-UHFFFAOYSA-N
Molecular Formula	C12H12F4O4
Exact Mass	296.215 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CAXIUYKIHFPTPC-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/CAXIUYKIHFPTPC-UHFFFAOYSA-N/IR
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:33:18.010138
MetadataModified	2024-09-07T12:46:19.365989
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427435	PubChem
The data in this table is sourced from UniChem at EBI.