Dataset

26oiii[100]

Chemical Information

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

Data and Resources

• 26oiii[100]HTML
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• 1h-nuclear-magnetic...

Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1010.d4657
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4657
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Maintainer
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 : 298.1559 K magnetic field strength : 9.398161044985478 Tesla number of scans : 16 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.