Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C29H15F16NO/c30-20-14-11-18(12-15-20)16-46(21-9-5-4-8-19(21)13-10-17-6-2-1-3-7-17)22(47)23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)45/h1-9,11-12,14-15H,16H2
SMILES	Fc1ccc(cc1)CN(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#Cc1ccccc1
InChI Key	DEZVLIBBNLEFNZ-UHFFFAOYSA-N
Molecular Formula	C29H15F16NO
Exact Mass	697.410 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/DEZVLIBBNLEFNZ-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/DEZVLIBBNLEFNZ-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:42:12.502213
MetadataModified	2024-09-07T23:28:54.451439
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889721	PubChem
The data in this table is sourced from UniChem at EBI.