CHEBI:179912 - 4-Methylphenyl 3-methylbutanoate

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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 3-methylbutanoate
ChEBI ID CHEBI:179912
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H16O2
Net Charge 0
Average Mass 192.258
Monoisotopic Mass 192.11503
InChI InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey MVDPTWHTUYDLTL-UHFFFAOYSA-N
SMILES O(C(=O)CC(C)C)C1=CC=C(C=C1)C
ChEBI Ontology
Outgoing 4-Methylphenyl 3-methylbutanoate (CHEBI:179912) is a benzoate ester (CHEBI:36054)
4-Methylphenyl 3-methylbutanoate (CHEBI:179912) is a phenols (CHEBI:33853)
IUPAC Name
(4-methylphenyl) 3-methylbutanoate
Manual Xrefs Databases
55929 ChemSpider
HMDB0037709 HMDB
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Registry Number Type Source
55066-56-3 CAS Registry Number ChemIDplus