Nonaneperoxoic acid, 1,1-dimethylethyl ester (CHEBI:229353)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Nonaneperoxoic acid, 1,1-dimethylethyl ester

ChEBI ID	CHEBI:229353

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C13H26O3

Net Charge

Average Mass

230.348

Monoisotopic Mass

230.18819

InChI

InChI=1S/C13H26O3/c1-5-6-7-8-9-10-11-12(14)15-16-13(2,3)4/h5-11H2,1-4H3

InChIKey

YSMATABRECEYRJ-UHFFFAOYSA-N

SMILES

O(OC(=O)CCCCCCCC)C(C)(C)C

Metabolite of Species	Details
Oryctolagus cuniculus (NCBI:txid9986)	Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study

ChEBI Ontology
Outgoing	Nonaneperoxoic acid, 1,1-dimethylethyl ester (CHEBI:229353) is a carbonyl compound (CHEBI:36586)

IUPAC Name

tert-butyl nonaneperoxoate