Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H20N2O2S2/c17-21(19,15-5-11(6-15)7-15)13-1-2-14(4-3-13)22(18,20)16-8-12(9-16)10-16/h1-4,11-12,17-18H,5-10H2
SMILES	N=S(=O)(C12CC(C1)C2)c1ccc(cc1)S(=O)(=N)C12CC(C1)C2
InChI Key	KHTYNDFZPPDQOU-UHFFFAOYSA-N
Molecular Formula	C16H20N2O2S2
Exact Mass	336.472 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/KHTYNDFZPPDQOU-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KHTYNDFZPPDQOU-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:21:19.299858
MetadataModified	2024-09-07T16:52:23.959378
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926377	PubChem
The data in this table is sourced from UniChem at EBI.