Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C18H17F3N2S/c1-3-23(4-2)14-8-5-12(6-9-14)17-22-15-11-13(18(19,20)21)7-10-16(15)24-17/h5-11H,3-4H2,1-2H3
SMILES	CCN(c1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F)CC
InChI Key	OILOLZJYRKDNOH-UHFFFAOYSA-N
Molecular Formula	C18H17F3N2S
Exact Mass	350.401 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/OILOLZJYRKDNOH-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/OILOLZJYRKDNOH-UHFFFAOYSA-N/CHMO0000597
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:31:27.816039
MetadataModified	2024-09-07T17:05:18.589607
MetadataPublished	2020-02-28

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

Data-Source Molecule ID	Data-Source
145944365	PubChem
The data in this table is sourced from UniChem at EBI.