Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C28H16F5NO/c29-23-22(24(30)26(32)27(33)25(23)31)28(35)34(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2
SMILES	O=C(c1c(F)c(F)c(c(c1F)F)F)N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1
InChI Key	TUCALALAYJTWFB-UHFFFAOYSA-N
Molecular Formula	C28H16F5NO
Exact Mass	477.425 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/TUCALALAYJTWFB-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/TUCALALAYJTWFB-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:11:40.184182
MetadataModified	2024-09-07T22:48:23.403594
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889683	PubChem
The data in this table is sourced from UniChem at EBI.