Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C10H6F5N3O2/c1-20-8(19)9(12,10(13,14)15)5-2-3-7(17-18-16)6(11)4-5/h2-4H,1H3
SMILES	[N-]=[N+]=Nc1ccc(cc1F)C(C(F)(F)F)(C(=O)OC)F
InChI Key	XFWBDHISOXNVBN-UHFFFAOYSA-N
Molecular Formula	C10H6F5N3O2
Exact Mass	295.166 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XFWBDHISOXNVBN-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/XFWBDHISOXNVBN-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:33:25.127115
MetadataModified	2024-09-07T12:46:29.893242
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427436	PubChem
J3.193.376E	Nikkaji
The data in this table is sourced from UniChem at EBI.