Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H15NOS/c1-9-2-4-11(5-3-9)15(13,14)12-6-10(7-12)8-12/h2-5,10,13H,6-8H2,1H3
SMILES	Cc1ccc(cc1)S(=O)(=N)C12CC(C1)C2
InChI Key	XPZLSBJQMZMCMC-UHFFFAOYSA-N
Molecular Formula	C12H15NOS
Exact Mass	221.319 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XPZLSBJQMZMCMC-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/XPZLSBJQMZMCMC-UHFFFAOYSA-N/CHMO0000593
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:23:33.258019
MetadataModified	2024-09-07T16:55:01.111893
MetadataPublished	2020-02-17
Related Molecule

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

Data-Source Molecule ID	Data-Source
145926378	PubChem
The data in this table is sourced from UniChem at EBI.