Dataset

X-ray diffraction (XRD)

Chemical Info

InChI	InChI=1S/C26H18F15NO2/c1-3-14-42(18-7-5-4-6-16(18)11-8-15-9-12-17(44-2)13-10-15)19(43)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h4-7,9-10,12-13H,3,14H2,1-2H3
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)OC
InChI Key	LNOKIIDFJHLSLH-UHFFFAOYSA-N
Molecular Formula	C26H18F15NO2
Exact Mass	661.403 g/mol

Data and Resources

• X-ray diffraction (XRD)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LNOKIIDFJHLSLH-UHFFFAOYSA-N/CHMO0000156
License URL
Source	https://www.chemotion-repository.net/inchikey/LNOKIIDFJHLSLH-UHFFFAOYSA-N/CHMO0000156
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:36:56.872946
MetadataModified	2024-09-07T23:22:01.632551
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	X-ray diffraction
Measurement Variables

Data-Source Molecule ID	Data-Source
164889713	PubChem
The data in this table is sourced from UniChem at EBI.