13C nuclear magnetic resonance spectroscopy (13C NMR)

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The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR,...

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Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image

InChI	InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H
SMILES	Fc1cccc(c1)S(=O)(=O)Cl
InChI Key	OKYSUJVCDXZGKE-UHFFFAOYSA-N
Exact Mass	194.611 g/mol

Data and Resources

13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

Field	Value
DOI	10.14272/OKYSUJVCDXZGKE-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/OKYSUJVCDXZGKE-UHFFFAOYSA-N/CHMO0000595
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:23:31.477880
MetadataModified	2024-09-23T09:26:00.033151
MetadataPublished	2024-08-07

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 512 Title : SG-CCP-3755 Date : 20240722 Start time : 12.06 h Instrument : spect Label : CCP-3573 ID : 317097 Solvent : DMSO Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 512 Title : SG-CCP-3755 Date : 20240722 Start time : 12.44 h Instrument : spect Label : CCP-3573 ID : 317097 Solvent : chloroform-D1 (CDCl3)