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)49(16-19-11-4-6-12-20(19)24(33,34)35)21-13-7-5-10-18(21)15-14-17-8-2-1-3-9-17/h1-13H,16H2
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)N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1C(F)(F)F
InChI Key	RPXBXBSPFPVZAQ-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/RPXBXBSPFPVZAQ-UHFFFAOYSA-N/CHMO0000597.1
License URL
Source	https://www.chemotion-repository.net/inchikey/RPXBXBSPFPVZAQ-UHFFFAOYSA-N/CHMO0000597.1
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:15:59.483342
MetadataModified	2024-09-07T22:54:09.010133
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889690	PubChem
The data in this table is sourced from UniChem at EBI.