Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H18N2O2S/c1-11-5-7-12(8-6-11)17(15,16)13-14-9-3-2-4-10-14/h5-8,13H,2-4,9-10H2,1H3
SMILES	Cc1ccc(cc1)S(=O)(=O)NN1CCCCC1
InChI Key	LPASCALNKVOUAF-UHFFFAOYSA-N
Molecular Formula	C12H18N2O2S
Exact Mass	254.349 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LPASCALNKVOUAF-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/LPASCALNKVOUAF-UHFFFAOYSA-N/CHMO0000593
Version
Author	João Macara
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:09:35.286336
MetadataModified	2024-09-08T00:04:56.287363
MetadataPublished	2023-01-02
Related Molecule

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

Data-Source Molecule ID	Data-Source
3307943	PubChem
J2.900.294K	Nikkaji
The data in this table is sourced from UniChem at EBI.