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CHEBI:173947 - Isobutyl salicylate

ChEBI IDCHEBI:173947
ChEBI NameIsobutyl salicylate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O3
Net Charge0
Average Mass194.230
Monoisotopic Mass194.09429
SMILESCC(C)COC(=O)c1ccccc1O
InChIInChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
InChIKeyPTXDBYSCVQQBNF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
6611ChemSpider
HMDB0036432HMDB
Registry NumbersSources
CAS:87-19-4ChemIDplus