CHEBI:178467 - Acetaldehyde diisoamyl 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 diisoamyl acetal
ChEBI ID CHEBI:178467
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H26O2
Net Charge 0
Average Mass 202.338
Monoisotopic Mass 202.19328
InChI InChI=1S/C12H26O2/c1-10(2)6-8-13-12(5)14-9-7-11(3)4/h10-12H,6-9H2,1-5H3
InChIKey LXKCTPBHCJDSKC-UHFFFAOYSA-N
SMILES O(CCC(C)C)C(OCCC(C)C)C
ChEBI Ontology
Outgoing Acetaldehyde diisoamyl acetal (CHEBI:178467) is a acetal (CHEBI:59769)
IUPAC Name
3-methyl-1-[1-(3-methylbutoxy)ethoxy]butane
Manual Xrefs Databases
74912 ChemSpider
HMDB0032153 HMDB
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Registry Number Type Source
13002-09-0 CAS Registry Number ChemIDplus