Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H11F2NO5/c1-3-19-10(15)11(12,13)8-5-4-7(14(16)17)6-9(8)18-2/h4-6H,3H2,1-2H3
SMILES	CCOC(=O)C(c1ccc(cc1OC)[N+](=O)[O-])(F)F
InChI Key	DKKDFIRVLABSIV-UHFFFAOYSA-N
Molecular Formula	C11H11F2NO5
Exact Mass	275.206 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DKKDFIRVLABSIV-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/DKKDFIRVLABSIV-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:42:00.012444
MetadataModified	2024-09-07T12:59:11.727617
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
ZINC000210533437	ZINC
73427451	PubChem
The data in this table is sourced from UniChem at EBI.