Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H9BrF4O3/c1-18-8-4-3-6(12)5-7(8)10(13,9(17)19-2)11(14,15)16/h3-5H,1-2H3
SMILES	COC(=O)C(C(F)(F)F)(c1cc(Br)ccc1OC)F
InChI Key	KOJVGMSDKPOSFV-UHFFFAOYSA-N
Molecular Formula	C11H9BrF4O3
Exact Mass	345.085 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/KOJVGMSDKPOSFV-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/KOJVGMSDKPOSFV-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:33:10.660748
MetadataModified	2024-09-07T12:46:08.551581
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427434	PubChem
The data in this table is sourced from UniChem at EBI.