Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C22H9F16NO/c23-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)39-15(40)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)38/h1-4,6-7,9-10H,(H,39,40)
SMILES	Fc1ccc(cc1)C#Cc1ccccc1NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	HVVWWEPETAXCGG-UHFFFAOYSA-N
Molecular Formula	C22H9F16NO
Exact Mass	607.287 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/HVVWWEPETAXCGG-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/HVVWWEPETAXCGG-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:45:00.395640
MetadataModified	2024-09-07T23:32:35.573596
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889727	PubChem
The data in this table is sourced from UniChem at EBI.