CHEBI:85487 - 3-(trimethylsilyl)propionic acid

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ChEBI Name 3-(trimethylsilyl)propionic acid
ChEBI ID CHEBI:85487
Definition An organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. 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.
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Formula C6H14O2Si
Net Charge 0
Average Mass 146.25970
Monoisotopic Mass 146.07631
InChI InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)
InChIKey NONFLFDSOSZQHR-UHFFFAOYSA-N
SMILES 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.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 3-(trimethylsilyl)propionic acid (CHEBI:85487) has functional parent propionic acid (CHEBI:30768)
3-(trimethylsilyl)propionic acid (CHEBI:85487) has role NMR chemical shift reference compound (CHEBI:228364)
3-(trimethylsilyl)propionic acid (CHEBI:85487) is a monocarboxylic acid (CHEBI:25384)
3-(trimethylsilyl)propionic acid (CHEBI:85487) is a organosilicon compound (CHEBI:25713)
3-(trimethylsilyl)propionic acid (CHEBI:85487) is conjugate acid of 3-(trimethylsilyl)propionate (CHEBI:85486)
Incoming 3-(trimethylsilyl)propionate (CHEBI:85486) is conjugate base of 3-(trimethylsilyl)propionic acid (CHEBI:85487)
IUPAC Name
3-(trimethylsilyl)propanoic acid
Synonyms Sources
3-trimethylsilylpropanoic acid ChEBI
3-trimethylsilylpropionic acid ChEBI
TMSP ChEBI
TSP ChEBI
Manual Xref Database
Trimethylsilyl_propanoic_acid Wikipedia
View more database links
Registry Numbers Types Sources
1747261 Reaxys Registry Number Reaxys
5683-30-7 CAS Registry Number ChemIDplus
Last Modified
09 January 2024