Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C17H15F3O4/c1-23-9-3-4-12-14-10-11(17(18,19)20)6-7-13(14)16(22)24-15(12)5-2-8-21/h6-7,10,21H,2,5,8-9H2,1H3
SMILES	COCC#Cc1c(CCCO)oc(=O)c2c1cc(cc2)C(F)(F)F
InChI Key	LYSFGQUUZPMXBJ-UHFFFAOYSA-N
Molecular Formula	C17H15F3O4
Exact Mass	340.294 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/LYSFGQUUZPMXBJ-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/LYSFGQUUZPMXBJ-UHFFFAOYSA-N/CHMO0000597
Version
Author	Irina Balova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:03:15.847862
MetadataModified	2024-09-08T01:03:15.847867
MetadataPublished	2023-06-02

Field	Value
Measurement Technique	19F nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
168301084	PubChem
The data in this table is sourced from UniChem at EBI.