Dataset

28f[10]

Chemical Information

InChI	InChI=1S/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3
SMILES	CN1C(=O)C2=C(C=CC=C2)S1(=O)=O
InChI Key	DDIIAJRLFATEEE-UHFFFAOYSA-N
Exact Mass	197.210 g/mol

Data and Resources

• 28f[10]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s996.d4629
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4629
Version
Author
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 : 298.1605 K magnetic field strength : 9.398161044985478 Tesla number of scans : 128 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
27290	PubChem
14818674	PubChem: Thomson Pharma
SCHEMBL107126	SureChEMBL
15448-99-4	ACToR
6232352	eMolecules
T63VBY3AYH	FDA SRS
MCULE-4320541414	Mcule
CHEMBL131790	ChEMBL
KIXHAB	CCDC
J102.232F	Nikkaji
CB3670273	ChemicalBook
ZINC000001671133	ZINC
DTXSID10165639	EPA CompTox Dashboard
50496471	BindingDB
The data in this table is sourced from UniChem at EBI.