Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H18N2O2S2/c18-22(20,14-7-3-1-4-8-14)16-11-17(12-16,13-16)23(19,21)15-9-5-2-6-10-15/h1-10,18-19H,11-13H2
SMILES	N=S(=O)(C12CC(C1)(C2)S(=O)(=N)c1ccccc1)c1ccccc1
InChI Key	CDAKGQIKEQOXFO-UHFFFAOYSA-N
Molecular Formula	C17H18N2O2S2
Exact Mass	346.467 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/CDAKGQIKEQOXFO-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CDAKGQIKEQOXFO-UHFFFAOYSA-N/CHMO0000470
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:21:51.518746
MetadataModified	2024-09-07T16:52:57.211148
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926381	PubChem
WUFKUG	CCDC
The data in this table is sourced from UniChem at EBI.