Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H23NOS/c1-3-4-8-19(18,16-10-14(11-16)12-16)17-15-7-5-6-13(2)9-15/h5-7,9,14H,3-4,8,10-12H2,1-2H3
SMILES	CCCCS(=Nc1cccc(c1)C)(=O)C12CC(C1)C2
InChI Key	HZARWVQDVDLWQM-UHFFFAOYSA-N
Molecular Formula	C16H23NOS
Exact Mass	277.425 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/HZARWVQDVDLWQM-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HZARWVQDVDLWQM-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:18:53.898746
MetadataModified	2024-09-07T16:49:33.051724
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926388	PubChem
The data in this table is sourced from UniChem at EBI.