Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C27H20F15NO/c1-2-3-4-8-13-18-14-9-10-15-19(18)43(16-17-11-6-5-7-12-17)20(44)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)42/h5-7,9-12,14-15H,2-4,16H2,1H3
SMILES	CCCCC#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	KSXCBKGDAXBVCF-UHFFFAOYSA-N
Molecular Formula	C27H20F15NO
Exact Mass	659.430 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KSXCBKGDAXBVCF-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/KSXCBKGDAXBVCF-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:35:23.178943
MetadataModified	2024-09-07T23:20:00.066314
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889693	PubChem
The data in this table is sourced from UniChem at EBI.