Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C21H10F5NO/c22-16-15(17(23)19(25)20(26)18(16)24)21(28)27-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,27,28)
SMILES O=C(c1c(F)c(F)c(c(c1F)F)F)Nc1ccccc1C#Cc1ccccc1
InChI Key YUWYOBXUKKDKQP-UHFFFAOYSA-N
Molecular Formula C21H10F5NO
Exact Mass 387.302 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YUWYOBXUKKDKQP-UHFFFAOYSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/YUWYOBXUKKDKQP-UHFFFAOYSA-N/CHMO0000597
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:17:14.233362
MetadataModified 2024-09-07T22:55:46.047432
MetadataPublished 2022-09-15
Field Value
Measurement Technique 19F nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
164889692 PubChem
The data in this table is sourced from UniChem at EBI.