Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H11F2NO2/c1-3-17-11(16)12(13,14)10-5-4-9(7-15)6-8(10)2/h4-6H,3H2,1-2H3
SMILES	CCOC(=O)C(c1ccc(cc1C)C#N)(F)F
InChI Key	YPBAFCPTVOGRGB-UHFFFAOYSA-N
Molecular Formula	C12H11F2NO2
Exact Mass	239.218 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YPBAFCPTVOGRGB-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/YPBAFCPTVOGRGB-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:39:49.157278
MetadataModified	2024-09-07T12:55:59.179765
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427446	PubChem
ZINC000210533199	ZINC
J3.173.624B	Nikkaji
The data in this table is sourced from UniChem at EBI.