Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C10H8F3N3O/c1-6(17)16-5-7-3-2-4-8(10(11,12)13)9(7)14-15-16/h2-4H,5H2,1H3
SMILES	CC(=O)N1N=Nc2c(C1)cccc2C(F)(F)F
InChI Key	LBQBAMDFNQQTJW-UHFFFAOYSA-N
Molecular Formula	C10H8F3N3O
Exact Mass	243.185 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/LBQBAMDFNQQTJW-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source	https://www.chemotion-repository.net/inchikey/LBQBAMDFNQQTJW-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author	Ana María García
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:32:26.362423
MetadataModified	2024-09-07T14:04:54.842196
MetadataPublished	2015-06-01

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

Data-Source Molecule ID	Data-Source
FUQYEW	CCDC
91799585	PubChem
The data in this table is sourced from UniChem at EBI.