Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C22H17NO4S/c24-22(25)20-11-13-21(14-12-20)28(26,27)23(17-19-9-5-2-6-10-19)16-15-18-7-3-1-4-8-18/h1-14H,17H2,(H,24,25)
SMILES	OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C#Cc1ccccc1
InChI Key	YKLLHLSJDBJTPI-UHFFFAOYSA-N
Molecular Formula	C22H17NO4S
Exact Mass	391.440 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YKLLHLSJDBJTPI-UHFFFAOYSA-N/Mass/EI.1
License URL
Source	https://www.chemotion-repository.net/inchikey/YKLLHLSJDBJTPI-UHFFFAOYSA-N/Mass/EI.1
Version
Author	Tim Wezeman
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:19:53.696536
MetadataModified	2024-09-07T13:44:57.227706
MetadataPublished	2014-08-14

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
76871752	PubChem
J3.557.641J	Nikkaji
The data in this table is sourced from UniChem at EBI.