CHEBI:85363 - sodium 3-(trimethylsilyl)propionate

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ChEBI Name sodium 3-(trimethylsilyl)propionate
ChEBI ID CHEBI:85363
Definition An organic sodium salt composed of sodium and 3-(trimethylsilyl)propionate ions in a 1:1 ratio. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Philippe Rocca-Serra
Supplier Information
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Formula C6H13NaO2Si
Net Charge 0
Average Mass 168.24150
Monoisotopic Mass 168.05825
InChI InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1
InChIKey OIIWPAYIXDCDNL-UHFFFAOYSA-M
SMILES [Na+].C[Si](C)(C)CCC([O-])=O
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.
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ChEBI Ontology
Outgoing sodium 3-(trimethylsilyl)propionate (CHEBI:85363) has part 3-(trimethylsilyl)propionate (CHEBI:85486)
sodium 3-(trimethylsilyl)propionate (CHEBI:85363) has role NMR chemical shift reference compound (CHEBI:228364)
sodium 3-(trimethylsilyl)propionate (CHEBI:85363) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium 3-(trimethylsilyl)propanoate
Synonyms Sources
sodium trimethylsilylpropanoate ChEBI
sodium trimethylsilylpropionate ChEBI
TMSP SUBMITTER
TSP SUBMITTER
Registry Numbers Types Sources
37013-20-0 CAS Registry Number ChemIDplus
4021529 Reaxys Registry Number Reaxys
Last Modified
09 January 2024