Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C19H19NO2S/c1-14(21)16-7-9-17(10-8-16)20-23(22,18-5-3-2-4-6-18)19-11-15(12-19)13-19/h2-10,15H,11-13H2,1H3
SMILES	CC(=O)c1ccc(cc1)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key	VPQUNUIUKCOYDW-UHFFFAOYSA-N
Molecular Formula	C19H19NO2S
Exact Mass	325.425 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/VPQUNUIUKCOYDW-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VPQUNUIUKCOYDW-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:19:08.186334
MetadataModified	2024-09-07T16:49:39.085205
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926376	PubChem
The data in this table is sourced from UniChem at EBI.