Dataset

27fi[21]

Chemical Information

InChI	InChI=1S/C9H11NO4S/c1-10-15(12,13)8-6-4-3-5-7(8)9(11)14-2/h3-6,10H,1-2H3
SMILES	CNS(=O)(=O)C1=C(C(=O)OC)C=CC=C1
InChI Key	NHEROJRIOMGQCA-UHFFFAOYSA-N

Data and Resources

• 27fi[21]HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1057.d4752
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4752
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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 : 298.1601 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
43237702	PubChem
SCHEMBL21268180	SureChEMBL
ZINC000037405926	ZINC
MCULE-2468613025	Mcule
CHEMBL4536355	ChEMBL
J1.031.023G	Nikkaji
The data in this table is sourced from UniChem at EBI.