Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C19H10F15NO3/c1-9(36)38-8-4-6-10-5-2-3-7-11(10)35-12(37)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h2-3,5,7H,8H2,1H3,(H,35,37)
SMILES	CC(=O)OCC#Cc1ccccc1NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key	KKAMFZCXAOMPFI-UHFFFAOYSA-N
Molecular Formula	C19H10F15NO3
Exact Mass	585.264 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/KKAMFZCXAOMPFI-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/KKAMFZCXAOMPFI-UHFFFAOYSA-N/CHMO0000597
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:44:11.672961
MetadataModified	2024-09-07T23:31:28.969272
MetadataPublished	2022-09-15

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

Data-Source Molecule ID	Data-Source
164889730	PubChem
The data in this table is sourced from UniChem at EBI.