Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C24H51NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(2,3)23-20-21-24-29(26,27)28/h4-24H2,1-3H3
SMILES	CCCCCCCCCCCCCCCCCC[N+](CCCCS(=O)(=O)[O-])(C)C
InChI Key	ISZZVWZCCZYJAF-UHFFFAOYSA-N
Molecular Formula	C24H51NO3S
Exact Mass	433.732 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ISZZVWZCCZYJAF-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/ISZZVWZCCZYJAF-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:31:20.178129
MetadataModified	2024-09-07T18:26:46.504597
MetadataPublished	2020-08-07

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
58196111	PubChem
The data in this table is sourced from UniChem at EBI.