Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H15NS3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-22H
SMILES	Sc1ccc(cc1)N(c1ccc(cc1)S)c1ccc(cc1)S
InChI Key	ZLULXIUFJWOSNJ-UHFFFAOYSA-N
Molecular Formula	C18H15NS3
Exact Mass	341.513 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZLULXIUFJWOSNJ-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/ZLULXIUFJWOSNJ-UHFFFAOYSA-N/Mass
Version
Author	Ksenia Kutonova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:01:02.974432
MetadataModified	2024-09-07T14:59:12.015199
MetadataPublished	2019-04-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
18336557	PubChem
The data in this table is sourced from UniChem at EBI.