Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H15NOS/c13-15(14,12-6-11(7-12)8-12)9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
SMILES	N=S(=O)(C12CC(C1)C2)Cc1ccccc1
InChI Key	AICNJBZHCMEDFX-UHFFFAOYSA-N
Molecular Formula	C12H15NOS
Exact Mass	221.319 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AICNJBZHCMEDFX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AICNJBZHCMEDFX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:24:40.722853
MetadataModified	2024-09-07T16:56:32.936831
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926396	PubChem
The data in this table is sourced from UniChem at EBI.