Dataset

27miii[41]

Chemical Information

InChI	InChI=1S/C12H17NO5S/c1-8(2)13-19(15,16)11-6-5-9(17-3)7-10(11)12(14)18-4/h5-8,13H,1-4H3
SMILES	COC(=O)C1=C(S(=O)(=O)NC(C)C)C=CC(OC)=C1
InChI Key	DUETWJLVKKVVNS-UHFFFAOYSA-N

Data and Resources

• 27miii[41]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.s982.d4602
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4602
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Language	english
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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 : 295.1168 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.