Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C22H19NO2S/c1-19-12-14-22(15-13-19)26(24,25)23(18-21-10-6-3-7-11-21)17-16-20-8-4-2-5-9-20/h2-15H,18H2,1H3
SMILES	Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C#Cc1ccccc1
InChI Key	GVJPCYQNQCNEAO-UHFFFAOYSA-N
Molecular Formula	C22H19NO2S
Exact Mass	361.457 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GVJPCYQNQCNEAO-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source	https://www.chemotion-repository.net/inchikey/GVJPCYQNQCNEAO-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author	Tim Wezeman
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:18:55.430058
MetadataModified	2024-09-07T13:43:41.191487
MetadataPublished	2014-08-14

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
16415909	PubChem: Thomson Pharma
J2.041.538J	Nikkaji
ZINC000138021170	ZINC
11325903	PubChem
The data in this table is sourced from UniChem at EBI.