Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C8H6F3NO4/c1-16-7-4-5(12(13,14)15)2-3-6(7)8(9,10)11/h2-4H,1H3
SMILES	COc1cc(ccc1C(F)(F)F)[N+](=O)(=O)[O-]
InChI Key	QUEVFDCCPXABJX-UHFFFAOYSA-N
Molecular Formula	C8H6F3NO4
Exact Mass	237.133 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QUEVFDCCPXABJX-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/QUEVFDCCPXABJX-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:36:47.627075
MetadataModified	2024-09-07T12:51:34.331176
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.