Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C20H32F3NO4S/c1-3-5-6-7-8-9-10-11-12-13-14-29-17-18(26)28-19(24-17,20(21,22)23)15-16(25)27-4-2/h3-15H2,1-2H3
SMILES	CCCCCCCCCCCCSC1=NC(OC1=O)(CC(=O)OCC)C(F)(F)F
InChI Key	UZUXLIGESWHQGW-UHFFFAOYSA-N
Molecular Formula	C20H32F3NO4S
Exact Mass	439.533 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UZUXLIGESWHQGW-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source	https://www.chemotion-repository.net/inchikey/UZUXLIGESWHQGW-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author	Sylvia Vanderheiden-Schroen
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:45:37.210568
MetadataModified	2024-09-07T13:04:39.877803
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427455	PubChem
The data in this table is sourced from UniChem at EBI.