Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H12F3N3/c1-10(2,3)7-4-5-9(16-17-15)8(6-7)11(12,13)14/h4-6H,1-3H3
SMILES	[N-]=[N+]=Nc1ccc(cc1C(F)(F)F)C(C)(C)C
InChI Key	VSVGIYNSQPCMFD-UHFFFAOYSA-N
Molecular Formula	C11H12F3N3
Exact Mass	243.228 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VSVGIYNSQPCMFD-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/VSVGIYNSQPCMFD-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:36:36.018111
MetadataModified	2024-09-07T12:51:16.130885
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427444	PubChem
J3.081.929B	Nikkaji
The data in this table is sourced from UniChem at EBI.