Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C15H12Br2F2O2/c1-20-13-5-3-9(7-11(13)16)15(18,19)10-4-6-14(21-2)12(17)8-10/h3-8H,1-2H3
SMILES	COc1ccc(cc1Br)C(c1ccc(c(c1)Br)OC)(F)F
InChI Key	KBHVITRTCBPLGU-UHFFFAOYSA-N
Molecular Formula	C15H12Br2F2O2
Exact Mass	422.059 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/KBHVITRTCBPLGU-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/KBHVITRTCBPLGU-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:45:56.923154
MetadataModified	2024-09-07T13:05:08.788129
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427456	PubChem
The data in this table is sourced from UniChem at EBI.