Dataset

27niii[180]

Chemical Information

InChI	InChI=1S/C12H14F3NO4S/c1-7(2)16-21(18,19)10-5-4-8(12(13,14)15)6-9(10)11(17)20-3/h4-7,16H,1-3H3
SMILES	COC(=O)C1=C(S(=O)(=O)NC(C)C)C=CC(C(F)(F)F)=C1
InChI Key	LASIFKNLOILVHM-UHFFFAOYSA-N

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1019.d4675
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4675
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Language	english
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 294.463 K magnetic field strength : 9.398161044985478 Tesla number of scans : 128 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 30.0366276301356 number of data points : 9 points relaxation time measurement : 0.1 seconds

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