Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C30H17F16NO2/c1-49-21-14-9-17(10-15-21)6-11-19-4-2-3-5-22(19)47(16-18-7-12-20(31)13-8-18)23(48)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)46/h2-5,7-10,12-15H,16H2,1H3
SMILES	COc1ccc(cc1)C#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)Cc1ccc(cc1)F
InChI Key	HGXCOINYNHMKOI-UHFFFAOYSA-N
Molecular Formula	C30H17F16NO2
Exact Mass	727.436 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/HGXCOINYNHMKOI-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/HGXCOINYNHMKOI-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:43:04.856451
MetadataModified	2024-09-07T23:30:04.118907
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889722	PubChem
The data in this table is sourced from UniChem at EBI.