Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C26H16F15NO3/c1-15(43)45-13-7-11-17-10-5-6-12-18(17)42(14-16-8-3-2-4-9-16)19(44)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-6,8-10,12H,13-14H2,1H3
SMILES	CC(=O)OCC#Cc1ccccc1N(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cc1ccccc1
InChI Key	BFJBMPFRZOBDQG-UHFFFAOYSA-N
Molecular Formula	C26H16F15NO3
Exact Mass	675.386 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/BFJBMPFRZOBDQG-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/BFJBMPFRZOBDQG-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:40:00.959241
MetadataModified	2024-09-07T23:26:04.323358
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889719	PubChem
The data in this table is sourced from UniChem at EBI.