Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H9F3O2/c1-16-10(15)9-4-2-8(3-5-9)6-7-11(12,13)14/h2-7H,1H3/b7-6-
SMILES	COC(=O)c1ccc(cc1)/C=C\C(F)(F)F
InChI Key	PMZMRRQEKAKDDJ-SREVYHEPSA-N
Molecular Formula	C11H9F3O2
Exact Mass	230.183 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PMZMRRQEKAKDDJ-SREVYHEPSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/PMZMRRQEKAKDDJ-SREVYHEPSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:32:02.452502
MetadataModified	2024-09-07T12:44:25.832171
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427432	PubChem
J3.259.720C	Nikkaji
The data in this table is sourced from UniChem at EBI.