Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C20H14F15NO/c1-2-3-4-5-8-11-9-6-7-10-12(11)36-13(37)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h6-7,9-10H,2-4H2,1H3,(H,36,37)
SMILES	CCCCC#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	ZSRLRAFSJNJUJN-UHFFFAOYSA-N
Molecular Formula	C20H14F15NO
Exact Mass	569.307 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/ZSRLRAFSJNJUJN-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/ZSRLRAFSJNJUJN-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:44:04.914582
MetadataModified	2024-09-07T23:31:20.067982
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889723	PubChem
The data in this table is sourced from UniChem at EBI.