Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C14H19NO2S/c1-10-2-6-13(7-3-10)18(16,17)15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3
SMILES	Cc1ccc(cc1)S(=O)(=O)NC1CC2CC1CC2
InChI Key	LLFRVFUBIFHUHF-UHFFFAOYSA-N
Molecular Formula	C14H19NO2S
Exact Mass	265.371 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LLFRVFUBIFHUHF-UHFFFAOYSA-N/NMR/1H/CDCl3/300
License URL
Source	https://www.chemotion-repository.net/inchikey/LLFRVFUBIFHUHF-UHFFFAOYSA-N/NMR/1H/CDCl3/300
Version
Author	Alexander Maier
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:59:23.051896
MetadataModified	2024-09-07T13:25:11.995752
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
1611743	eMolecules
CHEMBL1867110	ChEMBL
J2.230.557C	Nikkaji
MCULE-3901360594	Mcule
SCHEMBL11108504	SureChEMBL
573551	PubChem
The data in this table is sourced from UniChem at EBI.