CHEBI:195936 - Benzyl 2,3-dimethyl-2-butenoate

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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 Benzyl 2,3-dimethyl-2-butenoate
ChEBI ID CHEBI:195936
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16O2
Net Charge 0
Average Mass 204.269
Monoisotopic Mass 204.11503
InChI InChI=1S/C13H16O2/c1-10(2)11(3)13(14)15-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKey LHDWSNQMWAZQPX-UHFFFAOYSA-N
SMILES O(CC1=CC=CC=C1)C(=O)C(=C(C)C)C
ChEBI Ontology
Outgoing Benzyl 2,3-dimethyl-2-butenoate (CHEBI:195936) has functional parent benzyl alcohol (CHEBI:17987)
Benzyl 2,3-dimethyl-2-butenoate (CHEBI:195936) is a carboxylic ester (CHEBI:33308)
IUPAC Name
benzyl 2,3-dimethylbut-2-enoate
Manual Xrefs Databases
55331 ChemSpider
HMDB0036224 HMDB
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