Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C6H5F3OS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H
SMILES	OC(C(F)(F)F)c1cccs1
InChI Key	HFMKQZZXASNEDP-UHFFFAOYSA-N
Molecular Formula	C6H5F3OS
Exact Mass	182.164 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HFMKQZZXASNEDP-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/HFMKQZZXASNEDP-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author	Franziska Glaeser
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:47:23.733873
MetadataModified	2024-09-07T13:07:17.244688
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
10954147	PubChem
SCHEMBL2422205	SureChEMBL
28220470	eMolecules
16008378	PubChem: Thomson Pharma
J1.236.091F	Nikkaji
The data in this table is sourced from UniChem at EBI.