Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C9H6F3NO2/c10-9(11,12)5-4-7-2-1-3-8(6-7)13(14)15/h1-6H/b5-4-
SMILES	[O-][N+](=O)c1cccc(c1)/C=C\C(F)(F)F
InChI Key	ZWZFNZQPQSEOFG-PLNGDYQASA-N
Molecular Formula	C9H6F3NO2
Exact Mass	217.145 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/ZWZFNZQPQSEOFG-PLNGDYQASA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/ZWZFNZQPQSEOFG-PLNGDYQASA-N/NMR/13C/CDCl3/100
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:02:06.694798
MetadataModified	2024-09-07T13:29:12.661417
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
72793504	PubChem
The data in this table is sourced from UniChem at EBI.