Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C25H15F16NO/c1-2-13-42(17-6-4-3-5-15(17)10-7-14-8-11-16(26)12-9-14)18(43)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)41/h3-6,8-9,11-12H,2,13H2,1H3
SMILES	CCCN(C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1ccccc1C#Cc1ccc(cc1)F
InChI Key	SCRHUHFCHHSPOU-UHFFFAOYSA-N
Molecular Formula	C25H15F16NO
Exact Mass	649.367 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/SCRHUHFCHHSPOU-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/SCRHUHFCHHSPOU-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:38:10.539318
MetadataModified	2024-09-07T23:23:38.735802
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889733	PubChem
The data in this table is sourced from UniChem at EBI.