Dataset

27oiii[141]

Chemical Information

InChI	InChI=1S/C12H14N2O4S/c1-8(2)14-19(16,17)11-5-4-9(7-13)6-10(11)12(15)18-3/h4-6,8,14H,1-3H3
SMILES	COC(=O)C1=C(S(=O)(=O)NC(C)C)C=CC(C#N)=C1
InChI Key	KFFPEABMPSCHMZ-UHFFFAOYSA-N

Data and Resources

• 27oiii[141]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.s994.d4626
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4626
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Maintainer
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 : 296.0515 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.