Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C5H4F3NO2/c1-2-3(10)11-4(9-2)5(6,7)8/h4H,1H3
SMILES	O=C1OC(N=C1C)C(F)(F)F
InChI Key	RJQVSFJIBQPCLA-UHFFFAOYSA-N
Molecular Formula	C5H4F3NO2
Exact Mass	167.086 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RJQVSFJIBQPCLA-UHFFFAOYSA-N/1HNMR
License URL
Source	https://www.chemotion-repository.net/inchikey/RJQVSFJIBQPCLA-UHFFFAOYSA-N/1HNMR
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:45:11.514221
MetadataModified	2024-09-07T14:36:43.363973
MetadataPublished	2018-12-21
Related Molecule

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

Data-Source Molecule ID	Data-Source
14290092	PubChem
The data in this table is sourced from UniChem at EBI.