Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H19NS/c1-12-5-10-15-16(11-12)20-17(19-15)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3
SMILES	Cc1ccc2c(c1)sc(n2)c1ccc(cc1)C(C)(C)C
InChI Key	KMWDVZIQOFYBIA-UHFFFAOYSA-N
Molecular Formula	C18H19NS
Exact Mass	281.415 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/KMWDVZIQOFYBIA-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/KMWDVZIQOFYBIA-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:32:24.857944
MetadataModified	2024-09-07T17:06:52.593420
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL13483834	SureChEMBL
ZINC000045923462	ZINC
50849844	PubChem
The data in this table is sourced from UniChem at EBI.