Dataset

30t[30]

Chemical Information

InChI	InChI=1S/C10H12N2O2S/c1-8(2)12-15(13,14)10-5-3-9(7-11)4-6-10/h3-6,8,12H,1-2H3
SMILES	CC(C)NS(=O)(=O)C1=CC=C(C#N)C=C1
InChI Key	XSLGWWJRQODFSY-UHFFFAOYSA-N

Data and Resources

• 30t[30]HTML
  Go to source

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1026.d4689
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4689
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 : 298.159 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
8403073	PubChem
MCULE-2779600366	Mcule
ZINC000007305938	ZINC
11900220	eMolecules
SCHEMBL8277063	SureChEMBL
The data in this table is sourced from UniChem at EBI.