CHEBI:173947 - Isobutyl salicylate

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ChEBI Name Isobutyl salicylate
ChEBI ID CHEBI:173947
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)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
InChIKey PTXDBYSCVQQBNF-UHFFFAOYSA-N
SMILES O(CC(C)C)C(=O)C=1C(O)=CC=CC1
ChEBI Ontology
Outgoing Isobutyl salicylate (CHEBI:173947) has functional parent salicylic acid (CHEBI:16914)
Isobutyl salicylate (CHEBI:173947) is a benzoate ester (CHEBI:36054)
Isobutyl salicylate (CHEBI:173947) is a phenols (CHEBI:33853)
IUPAC Name
2-methylpropyl 2-hydroxybenzoate
Manual Xrefs Databases
6611 ChemSpider
HMDB0036432 HMDB
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Registry Number Type Source
87-19-4 CAS Registry Number ChemIDplus