Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C30H18F15NO2/c1-48-21-15-12-18(13-16-21)11-14-20-9-5-6-10-22(20)46(17-19-7-3-2-4-8-19)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-10,12-13,15-16H,17H2,1H3
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)Cc1ccccc1
InChI Key	GEFBQFBDCKVRHL-UHFFFAOYSA-N
Molecular Formula	C30H18F15NO2
Exact Mass	709.445 g/mol

Data and Resources

• 19F nuclear magnetic resonance spectroscopy (19F NMR)HTML
  Explore

  • More information
  • Go to resource

• 19f-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GEFBQFBDCKVRHL-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/GEFBQFBDCKVRHL-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:34:45.177474
MetadataModified	2024-09-07T23:19:07.364610
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889712	PubChem
The data in this table is sourced from UniChem at EBI.