CHEBI:173598 - 4-Methoxybenzyl butanoate

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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-Methoxybenzyl butanoate
ChEBI ID CHEBI:173598
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H16O3
Net Charge 0
Average Mass 208.257
Monoisotopic Mass 208.10994
InChI InChI=1S/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey MEPOOZLETHNMSR-UHFFFAOYSA-N
SMILES O(CC1=CC=C(OC)C=C1)C(=O)CCC
ChEBI Ontology
Outgoing 4-Methoxybenzyl butanoate (CHEBI:173598) has functional parent benzyl alcohol (CHEBI:17987)
4-Methoxybenzyl butanoate (CHEBI:173598) is a carboxylic ester (CHEBI:33308)
IUPAC Name
(4-methoxyphenyl)methyl butanoate
Manual Xrefs Databases
213059 ChemSpider
HMDB0034991 HMDB
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Registry Number Type Source
6963-56-0 CAS Registry Number ChemIDplus