Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C11H9F3O4/c1-17-9(15)6-3-7(10(16)18-2)5-8(4-6)11(12,13)14/h3-5H,1-2H3
SMILES	COC(=O)c1cc(cc(c1)C(F)(F)F)C(=O)OC
InChI Key	JIIRKRJNBBUTBR-UHFFFAOYSA-N
Molecular Formula	C11H9F3O4
Exact Mass	262.182 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/JIIRKRJNBBUTBR-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/JIIRKRJNBBUTBR-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:43:13.362909
MetadataModified	2024-09-07T13:01:05.619479
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL475762	SureChEMBL
57496009	PubChem
ZINC000097757159	ZINC
J3.040.310J	Nikkaji
The data in this table is sourced from UniChem at EBI.