CHEBI:173623 - Acetaldehyde hexyl isoamyl acetal

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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 Acetaldehyde hexyl isoamyl acetal
ChEBI ID CHEBI:173623
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H28O2
Net Charge 0
Average Mass 216.365
Monoisotopic Mass 216.20893
InChI InChI=1S/C13H28O2/c1-5-6-7-8-10-14-13(4)15-11-9-12(2)3/h12-13H,5-11H2,1-4H3
InChIKey PUXHYFFHRDAFHP-UHFFFAOYSA-N
SMILES O(CCC(C)C)C(OCCCCCC)C
ChEBI Ontology
Outgoing Acetaldehyde hexyl isoamyl acetal (CHEBI:173623) is a acetal (CHEBI:59769)
IUPAC Name
1-[1-(3-methylbutoxy)ethoxy]hexane
Manual Xrefs Databases
24607184 ChemSpider
HMDB0032154 HMDB
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Registry Number Type Source
233665-90-2 CAS Registry Number ChemIDplus