CHEBI:195173 - 1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt)

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ChEBI Name 1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt)
ChEBI ID CHEBI:195173
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H15O3SSi.Na
Net Charge 0
Average Mass 218.320
Monoisotopic Mass 218.04089
InChI InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1
InChIKey HWEXKRHYVOGVDA-UHFFFAOYSA-M
SMILES S([O-])(=O)(=O)CCC[Si](C)(C)C.[Na+]
Roles Classification
Chemical Role(s): NMR chemical shift reference compound
Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
Application(s): NMR chemical shift reference compound
Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt) (CHEBI:195173) has role NMR chemical shift reference compound (CHEBI:228364)
1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt) (CHEBI:195173) is a organosulfonic acid (CHEBI:33551)
IUPAC Name
sodium;3-trimethylsilylpropane-1-sulonate
Manual Xrefs Databases
67436 ChemSpider
D84158 KEGG DRUG
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Last Modified
09 January 2024