Dataset

27bi[81]

Chemical Information

InChI	InChI=1S/C11H15NO4S/c1-4-12-17(14,15)10-6-5-8(2)7-9(10)11(13)16-3/h5-7,12H,4H2,1-3H3
SMILES	CCNS(=O)(=O)C1=C(C(=O)OC)C=C(C)C=C1
InChI Key	XJDPXOKJHUPCAL-UHFFFAOYSA-N

Data and Resources

• 27bi[81]HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1013.d4664
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4664
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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 : 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
MCULE-5574915213	Mcule
The data in this table is sourced from UniChem at EBI.