Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H19NOS/c1-14-7-9-16(10-8-14)19-21(20,17-5-3-2-4-6-17)18-11-15(12-18)13-18/h2-10,15H,11-13H2,1H3
SMILES	Cc1ccc(cc1)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key	XTDGJOUNMAGZAE-UHFFFAOYSA-N
Molecular Formula	C18H19NOS
Exact Mass	297.415 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/XTDGJOUNMAGZAE-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XTDGJOUNMAGZAE-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:14:55.758325
MetadataModified	2024-09-07T16:44:56.888191
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145926369	PubChem
The data in this table is sourced from UniChem at EBI.