Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C30H15F18NO/c31-23(32,25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)30(46,47)48)22(50)20-17-11-5-7-13-19(17)49(21(20)15-8-2-1-3-9-15)14-16-10-4-6-12-18(16)24(33,34)35/h1-13H,14H2
SMILES	O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1c2ccccc2n(c1c1ccccc1)Cc1ccccc1C(F)(F)F
InChI Key	FLXHUVCZUDALTR-UHFFFAOYSA-N
Molecular Formula	C30H15F18NO
Exact Mass	747.417 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/FLXHUVCZUDALTR-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/FLXHUVCZUDALTR-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:28:42.971542
MetadataModified	2024-09-07T23:11:14.620640
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889708	PubChem
The data in this table is sourced from UniChem at EBI.