CHEBI:178256 - Isobutylparaben

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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 Isobutylparaben
ChEBI ID CHEBI:178256
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C11H14O3
Net Charge 0
Average Mass 194.230
Monoisotopic Mass 194.09429
InChI InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKey XPJVKCRENWUEJH-UHFFFAOYSA-N
SMILES O(CC(C)C)C(=O)C1=CC=C(O)C=C1
ChEBI Ontology
Outgoing Isobutylparaben (CHEBI:178256) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name
2-methylpropyl 4-hydroxybenzoate
Manual Xrefs Databases
19066 ChemSpider
C20342 KEGG COMPOUND
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Registry Number Type Source
4247-02-3 CAS Registry Number ChemIDplus