Methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate (CHEBI:194959)

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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	Methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate

ChEBI ID	CHEBI:194959

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H14O3

Net Charge

Average Mass

218.252

Monoisotopic Mass

218.09429

InChI

InChI=1S/C13H14O3/c1-13(2,15)9-8-10-4-6-11(7-5-10)12(14)16-3/h4-7,15H,1-3H3

InChIKey

HPQVSXSPVIQMCE-UHFFFAOYSA-N

SMILES

OC(C)(C)C#CC1=CC=C(C=C1)C(OC)=O

ChEBI Ontology
Outgoing	Methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate (CHEBI:194959) is a benzoate ester (CHEBI:36054)

IUPAC Name

methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate