4-Methylphenyl octanoate (CHEBI:196146)

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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	4-Methylphenyl octanoate

ChEBI ID	CHEBI:196146

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O2

Net Charge

Average Mass

234.339

Monoisotopic Mass

234.16198

InChI

InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3

InChIKey

ALRYNTSLFYRKGF-UHFFFAOYSA-N

SMILES

O(C(=O)CCCCCCC)C1=CC=C(C=C1)C

ChEBI Ontology
Outgoing	4-Methylphenyl octanoate (CHEBI:196146) is a benzoate ester (CHEBI:36054) 4-Methylphenyl octanoate (CHEBI:196146) is a phenols (CHEBI:33853)

IUPAC Name

(4-methylphenyl) octanoate