Dataset

26aiii[16]

Chemical Information

InChI	InChI=1S/C13H19NO4S/c1-10-6-8-11(9-7-10)19(16,17)14(5)12(15)18-13(2,3)4/h6-9H,1-5H3
SMILES	CC1=CC=C(S(=O)(=O)N(C)C(=O)OC(C)(C)C)C=C1
InChI Key	KUNIOZRLBZBQJU-UHFFFAOYSA-N

Data and Resources

• 26aiii[16]HTML
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• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s984.d4605
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4605
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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 : 298.1625 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
J145.925B	Nikkaji
22660067	PubChem
SCHEMBL1864283	SureChEMBL
The data in this table is sourced from UniChem at EBI.