Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CAXIUYKIHFPTPC-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/CAXIUYKIHFPTPC-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:33:15.659774
MetadataModified	2024-09-07T12:46:15.847997
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

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