Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C18H17F3N2OS/c1-3-23(4-2)12-6-7-13(15(24)10-12)17-22-14-9-11(18(19,20)21)5-8-16(14)25-17/h5-10,24H,3-4H2,1-2H3
SMILES	CCN(c1ccc(c(c1)O)c1nc2c(s1)ccc(c2)C(F)(F)F)CC
InChI Key	QAQOBOMSEMAHEE-UHFFFAOYSA-N
Molecular Formula	C18H17F3N2OS
Exact Mass	366.401 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QAQOBOMSEMAHEE-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/QAQOBOMSEMAHEE-UHFFFAOYSA-N/CHMO0000597
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:31:08.492344
MetadataModified	2024-09-07T17:05:09.993651
MetadataPublished	2020-02-28

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

Data-Source Molecule ID	Data-Source
145944364	PubChem
The data in this table is sourced from UniChem at EBI.