Dataset

27nii[61]

Chemical Information

InChI	InChI=1S/C13H16F3NO4S/c1-12(2,3)21-11(18)9-7-8(13(14,15)16)5-6-10(9)22(19,20)17-4/h5-7,17H,1-4H3
SMILES	CNS(=O)(=O)C1=C(C(=O)OC(C)(C)C)C=C(C(F)(F)F)C=C1
InChI Key	LDFIAGFRXQYMKZ-UHFFFAOYSA-N

Data and Resources

• 27nii[61]HTML
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• 13c-nuclear-magneti...

Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1009.d4656
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4656
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Language	english
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 298.1603 K magnetic field strength : 9.396159066431597 Tesla number of scans : 1024 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 248.43766462855 number of data points : 10 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.